USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 144 HIS : no HD1:sc= -3.26! C(o=-5.4!,f=-7!) USER MOD Set 1.2: A 148 CYS SG : rot 108:sc= -2.15! USER MOD Set 2.1: A 86 ASN : amide:sc= -3.61 K(o=-3.6,f=-13!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 HIS : no HE2:sc= 0.39 K(o=1.4,f=-11!) USER MOD Set 3.2: A 94 LYS NZ :NH3+ 160:sc= 1.01 (180deg=-0.04) USER MOD Set 4.1: A 42 HIS :FLIP no HD1:sc= -0.0676 F(o=-2.9,f=0.095) USER MOD Set 4.2: A 44 THR OG1 : rot -85:sc= 0.162 USER MOD Single : A 11 CYS SG : rot 35:sc= -2.32 USER MOD Single : A 35 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.27) USER MOD Single : A 47 LYS NZ :NH3+ -117:sc= -0.617 (180deg=-2.17!) USER MOD Single : A 59 THR OG1 : rot 82:sc= -2.91! USER MOD Single : A 64 THR OG1 : rot 81:sc= -5.99! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.688 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.048 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 116 HIS : no HD1:sc= -3.32 K(o=-3.3,f=-6.7!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -2.06 USER MOD Single : A 129 GLN : amide:sc= -7.31! C(o=-7.3!,f=-10!) USER MOD Single : A 132 GLN :FLIP amide:sc= -3.97! C(o=-5.5!,f=-4!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -156:sc= -0.574 (180deg=-2.01) USER MOD Single : A 137 LYS NZ :NH3+ -175:sc= -5.44! (180deg=-5.85!) USER MOD Single : A 141 GLN :FLIP amide:sc= -1.06 F(o=-5!,f=-1.1) USER MOD Single : A 145 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.56) USER MOD Single : A 149 SER OG : rot 76:sc= 0.389 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.861 -7.962 4.775 1.00 0.00 N ATOM 87 CA LEU A 8 6.610 -8.391 4.087 1.00 0.00 C ATOM 88 C LEU A 8 5.907 -7.164 3.498 1.00 0.00 C ATOM 89 O LEU A 8 5.855 -6.113 4.107 1.00 0.00 O ATOM 90 CB LEU A 8 5.663 -9.059 5.091 1.00 0.00 C ATOM 91 CG LEU A 8 6.461 -9.825 6.150 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.220 -8.837 7.036 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.494 -10.628 7.020 1.00 0.00 C ATOM 0 HA LEU A 8 6.866 -9.096 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.041 -8.304 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.991 -9.741 4.569 1.00 0.00 H new ATOM 0 HG LEU A 8 7.168 -10.493 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.787 -9.385 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.904 -8.249 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.511 -8.171 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.055 -11.176 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.794 -9.949 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.942 -11.332 6.397 1.00 0.00 H new ATOM 105 N ARG A 9 5.349 -7.292 2.329 1.00 0.00 N ATOM 106 CA ARG A 9 4.634 -6.141 1.717 1.00 0.00 C ATOM 107 C ARG A 9 3.194 -6.130 2.239 1.00 0.00 C ATOM 108 O ARG A 9 2.538 -7.152 2.284 1.00 0.00 O ATOM 109 CB ARG A 9 4.633 -6.299 0.195 1.00 0.00 C ATOM 110 CG ARG A 9 4.253 -4.975 -0.466 1.00 0.00 C ATOM 111 CD ARG A 9 4.195 -5.171 -1.982 1.00 0.00 C ATOM 112 NE ARG A 9 3.896 -3.872 -2.646 1.00 0.00 N ATOM 113 CZ ARG A 9 4.828 -2.965 -2.757 1.00 0.00 C ATOM 114 NH1 ARG A 9 6.020 -3.189 -2.275 1.00 0.00 N ATOM 115 NH2 ARG A 9 4.567 -1.835 -3.352 1.00 0.00 N ATOM 0 H ARG A 9 5.357 -8.145 1.770 1.00 0.00 H new ATOM 0 HA ARG A 9 5.129 -5.205 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.618 -6.616 -0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.928 -7.077 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.287 -4.632 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.983 -4.206 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.145 -5.565 -2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.429 -5.904 -2.234 1.00 0.00 H new ATOM 0 HE ARG A 9 2.962 -3.691 -3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.224 -4.074 -1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.747 -2.479 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.636 -1.661 -3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.294 -1.125 -3.440 1.00 0.00 H new ATOM 129 N ALA A 10 2.692 -4.995 2.644 1.00 0.00 N ATOM 130 CA ALA A 10 1.296 -4.950 3.171 1.00 0.00 C ATOM 131 C ALA A 10 0.614 -3.653 2.745 1.00 0.00 C ATOM 132 O ALA A 10 1.257 -2.666 2.447 1.00 0.00 O ATOM 133 CB ALA A 10 1.323 -5.015 4.698 1.00 0.00 C ATOM 0 H ALA A 10 3.184 -4.101 2.634 1.00 0.00 H new ATOM 0 HA ALA A 10 0.743 -5.800 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.303 -4.982 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.800 -5.943 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.885 -4.167 5.088 1.00 0.00 H new ATOM 139 N CYS A 11 -0.690 -3.646 2.719 1.00 0.00 N ATOM 140 CA CYS A 11 -1.413 -2.411 2.320 1.00 0.00 C ATOM 141 C CYS A 11 -2.748 -2.334 3.065 1.00 0.00 C ATOM 142 O CYS A 11 -3.571 -3.225 2.985 1.00 0.00 O ATOM 143 CB CYS A 11 -1.677 -2.442 0.815 1.00 0.00 C ATOM 144 SG CYS A 11 -0.386 -1.507 -0.041 1.00 0.00 S ATOM 0 H CYS A 11 -1.283 -4.441 2.957 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.806 -1.540 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.692 -3.472 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.656 -2.015 0.597 1.00 0.00 H new ATOM 0 HG CYS A 11 0.746 -1.663 0.578 1.00 0.00 H new ATOM 150 N GLY A 12 -2.970 -1.265 3.774 1.00 0.00 N ATOM 151 CA GLY A 12 -4.253 -1.102 4.515 1.00 0.00 C ATOM 152 C GLY A 12 -4.924 0.184 4.035 1.00 0.00 C ATOM 153 O GLY A 12 -4.387 0.889 3.204 1.00 0.00 O ATOM 0 H GLY A 12 -2.314 -0.490 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.904 -1.958 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.068 -1.056 5.588 1.00 0.00 H new ATOM 157 N LEU A 13 -6.090 0.501 4.528 1.00 0.00 N ATOM 158 CA LEU A 13 -6.755 1.745 4.050 1.00 0.00 C ATOM 159 C LEU A 13 -7.094 2.671 5.215 1.00 0.00 C ATOM 160 O LEU A 13 -7.912 2.352 6.055 1.00 0.00 O ATOM 161 CB LEU A 13 -8.067 1.384 3.336 1.00 0.00 C ATOM 162 CG LEU A 13 -8.004 1.801 1.861 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.393 1.699 1.228 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.518 3.246 1.744 1.00 0.00 C ATOM 0 H LEU A 13 -6.603 -0.036 5.228 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.067 2.252 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.246 0.311 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.904 1.881 3.826 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.312 1.136 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.338 1.997 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.749 0.671 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.083 2.356 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.477 3.532 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.206 3.905 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.524 3.332 2.183 1.00 0.00 H new ATOM 176 N ILE A 14 -6.534 3.850 5.231 1.00 0.00 N ATOM 177 CA ILE A 14 -6.903 4.810 6.299 1.00 0.00 C ATOM 178 C ILE A 14 -8.148 5.525 5.800 1.00 0.00 C ATOM 179 O ILE A 14 -8.109 6.304 4.868 1.00 0.00 O ATOM 180 CB ILE A 14 -5.768 5.803 6.558 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.646 5.083 7.311 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.280 6.970 7.404 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.426 5.999 7.432 1.00 0.00 C ATOM 0 H ILE A 14 -5.845 4.184 4.557 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.088 4.302 7.246 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.396 6.189 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.991 4.791 8.303 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.373 4.168 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.467 7.673 7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.087 7.477 6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.652 6.593 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.633 5.479 7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.074 6.269 6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.702 6.902 7.977 1.00 0.00 H new ATOM 195 N ILE A 15 -9.261 5.210 6.377 1.00 0.00 N ATOM 196 CA ILE A 15 -10.542 5.799 5.915 1.00 0.00 C ATOM 197 C ILE A 15 -10.928 6.994 6.774 1.00 0.00 C ATOM 198 O ILE A 15 -10.776 6.984 7.977 1.00 0.00 O ATOM 199 CB ILE A 15 -11.597 4.706 6.026 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.231 3.577 5.065 1.00 0.00 C ATOM 201 CG2 ILE A 15 -12.989 5.241 5.686 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.963 2.302 5.468 1.00 0.00 C ATOM 0 H ILE A 15 -9.343 4.561 7.160 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.452 6.155 4.889 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.622 4.342 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.497 3.854 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.154 3.409 5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.719 4.437 5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.248 6.044 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.992 5.624 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.700 1.498 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.675 2.022 6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.039 2.473 5.431 1.00 0.00 H new ATOM 214 N PHE A 16 -11.438 8.022 6.154 1.00 0.00 N ATOM 215 CA PHE A 16 -11.854 9.222 6.916 1.00 0.00 C ATOM 216 C PHE A 16 -13.216 9.706 6.419 1.00 0.00 C ATOM 217 O PHE A 16 -13.385 10.022 5.259 1.00 0.00 O ATOM 218 CB PHE A 16 -10.824 10.334 6.715 1.00 0.00 C ATOM 219 CG PHE A 16 -10.862 10.808 5.281 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.084 10.165 4.310 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.673 11.893 4.924 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.120 10.605 2.980 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.709 12.334 3.595 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.932 11.691 2.624 1.00 0.00 C ATOM 0 H PHE A 16 -11.583 8.078 5.146 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.923 8.967 7.974 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.035 11.165 7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.827 9.969 6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.457 9.330 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.271 12.390 5.674 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.523 10.108 2.230 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.336 13.169 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.958 12.032 1.600 1.00 0.00 H new ATOM 234 N ARG A 17 -14.184 9.787 7.289 1.00 0.00 N ATOM 235 CA ARG A 17 -15.525 10.272 6.861 1.00 0.00 C ATOM 236 C ARG A 17 -15.531 11.798 6.930 1.00 0.00 C ATOM 237 O ARG A 17 -15.336 12.380 7.979 1.00 0.00 O ATOM 238 CB ARG A 17 -16.592 9.716 7.805 1.00 0.00 C ATOM 239 CG ARG A 17 -17.981 10.110 7.300 1.00 0.00 C ATOM 240 CD ARG A 17 -19.029 9.724 8.345 1.00 0.00 C ATOM 241 NE ARG A 17 -18.979 8.250 8.581 1.00 0.00 N ATOM 242 CZ ARG A 17 -19.071 7.774 9.797 1.00 0.00 C ATOM 243 NH1 ARG A 17 -19.215 8.580 10.813 1.00 0.00 N ATOM 244 NH2 ARG A 17 -19.022 6.485 9.992 1.00 0.00 N ATOM 0 H ARG A 17 -14.105 9.539 8.275 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.738 9.941 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.510 8.631 7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.437 10.102 8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.020 11.182 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.192 9.610 6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.843 10.259 9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -20.022 10.015 8.004 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.873 7.612 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.257 9.588 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.286 8.202 11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.912 5.853 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.093 6.109 10.938 1.00 0.00 H new ATOM 258 N ARG A 18 -15.740 12.458 5.824 1.00 0.00 N ATOM 259 CA ARG A 18 -15.740 13.949 5.841 1.00 0.00 C ATOM 260 C ARG A 18 -17.162 14.482 6.036 1.00 0.00 C ATOM 261 O ARG A 18 -18.109 13.990 5.456 1.00 0.00 O ATOM 262 CB ARG A 18 -15.168 14.478 4.526 1.00 0.00 C ATOM 263 CG ARG A 18 -15.123 16.007 4.569 1.00 0.00 C ATOM 264 CD ARG A 18 -14.380 16.532 3.340 1.00 0.00 C ATOM 265 NE ARG A 18 -15.113 16.127 2.105 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.003 16.837 1.017 1.00 0.00 C ATOM 267 NH1 ARG A 18 -14.266 17.913 1.008 1.00 0.00 N ATOM 268 NH2 ARG A 18 -15.636 16.470 -0.067 1.00 0.00 N ATOM 0 H ARG A 18 -15.910 12.032 4.913 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.122 14.290 6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.167 14.078 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.782 14.145 3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.135 16.410 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.624 16.341 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.298 17.618 3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.365 16.136 3.319 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.701 15.294 2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.774 18.201 1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.182 18.466 0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.214 15.630 -0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.551 17.024 -0.919 1.00 0.00 H new ATOM 434 N ILE A 29 -13.684 15.647 10.668 1.00 0.00 N ATOM 435 CA ILE A 29 -13.267 14.389 9.989 1.00 0.00 C ATOM 436 C ILE A 29 -13.130 13.250 10.998 1.00 0.00 C ATOM 437 O ILE A 29 -12.553 13.399 12.056 1.00 0.00 O ATOM 438 CB ILE A 29 -11.932 14.613 9.279 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.161 15.528 8.079 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.371 13.271 8.802 1.00 0.00 C ATOM 441 CD1 ILE A 29 -10.881 16.301 7.767 1.00 0.00 C ATOM 0 HA ILE A 29 -14.030 14.114 9.261 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.220 15.072 9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.461 14.939 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.974 16.223 8.289 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.419 13.434 8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.219 12.615 9.659 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.075 12.808 8.111 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.049 16.953 6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.600 16.903 8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.079 15.599 7.537 1.00 0.00 H new ATOM 453 N GLU A 30 -13.646 12.107 10.652 1.00 0.00 N ATOM 454 CA GLU A 30 -13.548 10.925 11.553 1.00 0.00 C ATOM 455 C GLU A 30 -12.923 9.775 10.769 1.00 0.00 C ATOM 456 O GLU A 30 -13.007 9.736 9.560 1.00 0.00 O ATOM 457 CB GLU A 30 -14.943 10.525 12.037 1.00 0.00 C ATOM 458 CG GLU A 30 -15.551 11.678 12.836 1.00 0.00 C ATOM 459 CD GLU A 30 -16.915 11.260 13.383 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.450 10.275 12.900 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.398 11.928 14.280 1.00 0.00 O ATOM 0 H GLU A 30 -14.137 11.938 9.774 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.934 11.165 12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.580 10.282 11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.883 9.630 12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.888 11.955 13.656 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.657 12.558 12.201 1.00 0.00 H new ATOM 469 N PHE A 31 -12.287 8.847 11.432 1.00 0.00 N ATOM 470 CA PHE A 31 -11.646 7.722 10.690 1.00 0.00 C ATOM 471 C PHE A 31 -12.287 6.386 11.076 1.00 0.00 C ATOM 472 O PHE A 31 -12.797 6.219 12.167 1.00 0.00 O ATOM 473 CB PHE A 31 -10.152 7.673 11.027 1.00 0.00 C ATOM 474 CG PHE A 31 -9.483 8.972 10.628 1.00 0.00 C ATOM 475 CD1 PHE A 31 -8.991 9.139 9.327 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.345 10.004 11.567 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.362 10.338 8.966 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.718 11.201 11.202 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.228 11.368 9.903 1.00 0.00 C ATOM 0 H PHE A 31 -12.184 8.818 12.446 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.786 7.888 9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.018 7.499 12.095 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.682 6.838 10.507 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.096 8.345 8.603 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.722 9.875 12.571 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.980 10.467 7.964 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.613 11.997 11.925 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.746 12.293 9.623 1.00 0.00 H new ATOM 489 N LEU A 32 -12.240 5.425 10.190 1.00 0.00 N ATOM 490 CA LEU A 32 -12.820 4.090 10.503 1.00 0.00 C ATOM 491 C LEU A 32 -11.778 3.279 11.270 1.00 0.00 C ATOM 492 O LEU A 32 -10.652 3.132 10.838 1.00 0.00 O ATOM 493 CB LEU A 32 -13.179 3.355 9.207 1.00 0.00 C ATOM 494 CG LEU A 32 -13.616 1.923 9.529 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.821 1.948 10.469 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.007 1.208 8.235 1.00 0.00 C ATOM 0 H LEU A 32 -11.824 5.510 9.263 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.724 4.213 11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.980 3.882 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.320 3.341 8.536 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.791 1.397 10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.128 0.927 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.551 2.458 11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.645 2.477 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.318 0.188 8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.830 1.741 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.152 1.184 7.560 1.00 0.00 H new ATOM 508 N LEU A 33 -12.143 2.754 12.404 1.00 0.00 N ATOM 509 CA LEU A 33 -11.173 1.956 13.202 1.00 0.00 C ATOM 510 C LEU A 33 -11.770 0.589 13.520 1.00 0.00 C ATOM 511 O LEU A 33 -12.903 0.478 13.937 1.00 0.00 O ATOM 512 CB LEU A 33 -10.853 2.694 14.503 1.00 0.00 C ATOM 513 CG LEU A 33 -9.707 3.676 14.260 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.668 4.709 15.385 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.383 2.910 14.232 1.00 0.00 C ATOM 0 H LEU A 33 -13.073 2.843 12.814 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.257 1.821 12.628 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.735 3.227 14.858 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.577 1.981 15.280 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.860 4.183 13.307 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.850 5.408 15.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.612 5.254 15.411 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.514 4.203 16.338 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.563 3.607 14.059 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.235 2.405 15.186 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.407 2.172 13.431 1.00 0.00 H new ATOM 527 N LEU A 34 -11.012 -0.452 13.324 1.00 0.00 N ATOM 528 CA LEU A 34 -11.525 -1.818 13.611 1.00 0.00 C ATOM 529 C LEU A 34 -10.861 -2.346 14.887 1.00 0.00 C ATOM 530 O LEU A 34 -9.693 -2.120 15.128 1.00 0.00 O ATOM 531 CB LEU A 34 -11.199 -2.732 12.431 1.00 0.00 C ATOM 532 CG LEU A 34 -11.735 -2.095 11.147 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.459 -3.014 9.960 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.244 -1.883 11.275 1.00 0.00 C ATOM 0 H LEU A 34 -10.054 -0.415 12.975 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.605 -1.792 13.755 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.122 -2.881 12.356 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.647 -3.714 12.580 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.239 -1.137 10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.843 -2.556 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.385 -3.171 9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.952 -3.973 10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.627 -1.429 10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.734 -2.843 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.449 -1.225 12.120 1.00 0.00 H new ATOM 546 N GLN A 35 -11.602 -3.038 15.709 1.00 0.00 N ATOM 547 CA GLN A 35 -11.017 -3.568 16.974 1.00 0.00 C ATOM 548 C GLN A 35 -10.711 -5.060 16.825 1.00 0.00 C ATOM 549 O GLN A 35 -11.549 -5.839 16.413 1.00 0.00 O ATOM 550 CB GLN A 35 -12.016 -3.374 18.113 1.00 0.00 C ATOM 551 CG GLN A 35 -11.374 -3.789 19.436 1.00 0.00 C ATOM 552 CD GLN A 35 -12.432 -3.782 20.539 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.440 -4.454 20.434 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.246 -3.047 21.603 1.00 0.00 N ATOM 0 H GLN A 35 -12.586 -3.259 15.560 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.094 -3.031 17.192 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.330 -2.331 18.161 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.911 -3.968 17.930 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.936 -4.783 19.344 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.564 -3.105 19.690 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.401 -2.483 21.692 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.946 -3.037 22.345 1.00 0.00 H new ATOM 641 N HIS A 42 -6.105 -3.642 20.333 1.00 0.00 N ATOM 642 CA HIS A 42 -5.669 -2.341 19.751 1.00 0.00 C ATOM 643 C HIS A 42 -6.602 -1.956 18.603 1.00 0.00 C ATOM 644 O HIS A 42 -7.251 -2.793 18.007 1.00 0.00 O ATOM 645 CB HIS A 42 -4.243 -2.480 19.216 1.00 0.00 C ATOM 646 CG HIS A 42 -4.255 -3.350 17.989 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.343 -3.049 16.654 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -4.175 -4.734 18.061 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -4.318 -4.222 15.911 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -4.217 -5.209 16.802 1.00 0.00 N flip ATOM 0 HA HIS A 42 -5.701 -1.570 20.521 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.835 -1.498 18.976 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.597 -2.916 19.978 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.094 -5.323 18.963 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.370 -4.315 14.836 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.177 -6.199 16.560 1.00 0.00 H new ATOM 659 N TRP A 43 -6.672 -0.694 18.284 1.00 0.00 N ATOM 660 CA TRP A 43 -7.560 -0.254 17.169 1.00 0.00 C ATOM 661 C TRP A 43 -6.708 0.063 15.939 1.00 0.00 C ATOM 662 O TRP A 43 -5.712 0.752 16.025 1.00 0.00 O ATOM 663 CB TRP A 43 -8.315 1.005 17.591 1.00 0.00 C ATOM 664 CG TRP A 43 -9.203 0.693 18.756 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.799 0.628 20.044 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.633 0.411 18.761 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.889 0.321 20.840 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.042 0.177 20.095 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.605 0.333 17.747 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.367 -0.119 20.413 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.939 0.036 18.063 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.319 -0.191 19.394 1.00 0.00 C ATOM 0 H TRP A 43 -6.153 0.053 18.746 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.269 -1.047 16.933 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.609 1.791 17.859 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.910 1.381 16.758 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.790 0.789 20.395 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.845 0.214 21.853 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.322 0.503 16.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.655 -0.291 21.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.678 -0.018 17.277 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.347 -0.421 19.631 1.00 0.00 H new ATOM 683 N THR A 44 -7.096 -0.427 14.792 1.00 0.00 N ATOM 684 CA THR A 44 -6.308 -0.143 13.558 1.00 0.00 C ATOM 685 C THR A 44 -7.228 -0.241 12.338 1.00 0.00 C ATOM 686 O THR A 44 -8.209 -0.956 12.350 1.00 0.00 O ATOM 687 CB THR A 44 -5.179 -1.170 13.419 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.469 -2.300 14.230 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.855 -0.546 13.864 1.00 0.00 C ATOM 0 H THR A 44 -7.922 -1.010 14.656 1.00 0.00 H new ATOM 0 HA THR A 44 -5.883 0.859 13.623 1.00 0.00 H new ATOM 0 HB THR A 44 -5.097 -1.479 12.377 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.158 -2.135 15.144 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.055 -1.280 13.764 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.633 0.320 13.241 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.932 -0.233 14.905 1.00 0.00 H new ATOM 697 N PRO A 45 -6.905 0.461 11.284 1.00 0.00 N ATOM 698 CA PRO A 45 -7.711 0.439 10.032 1.00 0.00 C ATOM 699 C PRO A 45 -7.582 -0.906 9.310 1.00 0.00 C ATOM 700 O PRO A 45 -6.708 -1.691 9.612 1.00 0.00 O ATOM 701 CB PRO A 45 -7.115 1.564 9.184 1.00 0.00 C ATOM 702 CG PRO A 45 -5.731 1.773 9.705 1.00 0.00 C ATOM 703 CD PRO A 45 -5.742 1.354 11.175 1.00 0.00 C ATOM 0 HA PRO A 45 -8.775 0.573 10.226 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.099 1.292 8.129 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.707 2.475 9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.012 1.180 9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.434 2.817 9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.820 0.843 11.451 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.838 2.216 11.835 1.00 0.00 H new ATOM 711 N PRO A 46 -8.447 -1.173 8.370 1.00 0.00 N ATOM 712 CA PRO A 46 -8.422 -2.450 7.600 1.00 0.00 C ATOM 713 C PRO A 46 -7.036 -2.773 7.036 1.00 0.00 C ATOM 714 O PRO A 46 -6.635 -2.254 6.012 1.00 0.00 O ATOM 715 CB PRO A 46 -9.409 -2.206 6.459 1.00 0.00 C ATOM 716 CG PRO A 46 -10.339 -1.151 6.954 1.00 0.00 C ATOM 717 CD PRO A 46 -9.543 -0.292 7.937 1.00 0.00 C ATOM 0 HA PRO A 46 -8.678 -3.300 8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.892 -1.881 5.556 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.949 -3.118 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.714 -0.547 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.205 -1.597 7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.164 0.613 7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.158 0.025 8.780 1.00 0.00 H new ATOM 725 N LYS A 47 -6.304 -3.639 7.687 1.00 0.00 N ATOM 726 CA LYS A 47 -4.955 -4.006 7.171 1.00 0.00 C ATOM 727 C LYS A 47 -5.050 -5.350 6.448 1.00 0.00 C ATOM 728 O LYS A 47 -5.770 -6.238 6.862 1.00 0.00 O ATOM 729 CB LYS A 47 -3.961 -4.128 8.329 1.00 0.00 C ATOM 730 CG LYS A 47 -3.830 -2.782 9.042 1.00 0.00 C ATOM 731 CD LYS A 47 -2.628 -2.820 9.987 1.00 0.00 C ATOM 732 CE LYS A 47 -2.840 -3.909 11.037 1.00 0.00 C ATOM 733 NZ LYS A 47 -2.248 -5.186 10.549 1.00 0.00 N ATOM 0 H LYS A 47 -6.582 -4.106 8.550 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.609 -3.232 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.298 -4.891 9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.989 -4.447 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.707 -1.982 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.740 -2.565 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.715 -3.015 9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.502 -1.852 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.377 -3.617 11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.904 -4.040 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.999 -5.897 10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.785 -5.026 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.546 -5.528 11.236 1.00 0.00 H new ATOM 747 N GLY A 48 -4.328 -5.511 5.375 1.00 0.00 N ATOM 748 CA GLY A 48 -4.380 -6.802 4.636 1.00 0.00 C ATOM 749 C GLY A 48 -3.017 -7.088 4.002 1.00 0.00 C ATOM 750 O GLY A 48 -2.104 -6.289 4.085 1.00 0.00 O ATOM 0 H GLY A 48 -3.706 -4.807 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.653 -7.610 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.149 -6.760 3.865 1.00 0.00 H new ATOM 754 N HIS A 49 -2.875 -8.220 3.369 1.00 0.00 N ATOM 755 CA HIS A 49 -1.573 -8.561 2.724 1.00 0.00 C ATOM 756 C HIS A 49 -1.738 -8.480 1.208 1.00 0.00 C ATOM 757 O HIS A 49 -2.733 -8.908 0.660 1.00 0.00 O ATOM 758 CB HIS A 49 -1.164 -9.983 3.116 1.00 0.00 C ATOM 759 CG HIS A 49 -0.922 -10.050 4.599 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.934 -10.366 5.496 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.205 -9.852 5.359 1.00 0.00 C ATOM 762 CE1 HIS A 49 -1.400 -10.351 6.732 1.00 0.00 C ATOM 763 NE2 HIS A 49 -0.102 -10.043 6.701 1.00 0.00 N ATOM 0 H HIS A 49 -3.605 -8.925 3.270 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.803 -7.862 3.053 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.946 -10.688 2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.262 -10.274 2.577 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.905 -10.572 5.261 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.179 -9.589 4.973 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.953 -10.562 7.635 1.00 0.00 H new ATOM 772 N VAL A 50 -0.775 -7.929 0.523 1.00 0.00 N ATOM 773 CA VAL A 50 -0.899 -7.818 -0.959 1.00 0.00 C ATOM 774 C VAL A 50 -0.293 -9.058 -1.623 1.00 0.00 C ATOM 775 O VAL A 50 0.774 -9.514 -1.262 1.00 0.00 O ATOM 776 CB VAL A 50 -0.180 -6.552 -1.442 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.661 -5.966 -0.307 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.719 -6.891 -2.635 1.00 0.00 C ATOM 0 H VAL A 50 0.086 -7.553 0.920 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.952 -7.753 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.922 -5.815 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.169 -5.067 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.013 -5.713 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.401 -6.699 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.228 -5.989 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.458 -7.633 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.111 -7.292 -3.446 1.00 0.00 H new ATOM 788 N GLU A 51 -0.972 -9.596 -2.598 1.00 0.00 N ATOM 789 CA GLU A 51 -0.460 -10.801 -3.313 1.00 0.00 C ATOM 790 C GLU A 51 0.749 -10.381 -4.166 1.00 0.00 C ATOM 791 O GLU A 51 1.187 -9.251 -4.090 1.00 0.00 O ATOM 792 CB GLU A 51 -1.587 -11.356 -4.196 1.00 0.00 C ATOM 793 CG GLU A 51 -1.883 -12.821 -3.846 1.00 0.00 C ATOM 794 CD GLU A 51 -3.069 -12.881 -2.881 1.00 0.00 C ATOM 795 OE1 GLU A 51 -4.174 -12.603 -3.315 1.00 0.00 O ATOM 796 OE2 GLU A 51 -2.852 -13.201 -1.723 1.00 0.00 O ATOM 0 H GLU A 51 -1.870 -9.249 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.147 -11.575 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.488 -10.757 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.304 -11.278 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.107 -13.385 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.006 -13.283 -3.392 1.00 0.00 H new ATOM 804 N PRO A 52 1.304 -11.264 -4.963 1.00 0.00 N ATOM 805 CA PRO A 52 2.488 -10.929 -5.805 1.00 0.00 C ATOM 806 C PRO A 52 2.122 -10.010 -6.976 1.00 0.00 C ATOM 807 O PRO A 52 2.517 -8.861 -7.022 1.00 0.00 O ATOM 808 CB PRO A 52 2.980 -12.285 -6.313 1.00 0.00 C ATOM 809 CG PRO A 52 1.793 -13.191 -6.257 1.00 0.00 C ATOM 810 CD PRO A 52 0.870 -12.659 -5.154 1.00 0.00 C ATOM 0 HA PRO A 52 3.244 -10.385 -5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.365 -12.206 -7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.792 -12.665 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.276 -13.208 -7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.100 -14.215 -6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.178 -12.713 -5.450 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.972 -13.237 -4.236 1.00 0.00 H new ATOM 818 N GLY A 53 1.364 -10.500 -7.916 1.00 0.00 N ATOM 819 CA GLY A 53 0.968 -9.648 -9.073 1.00 0.00 C ATOM 820 C GLY A 53 -0.239 -8.793 -8.679 1.00 0.00 C ATOM 821 O GLY A 53 -0.933 -8.250 -9.517 1.00 0.00 O ATOM 0 H GLY A 53 1.001 -11.453 -7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.799 -9.009 -9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.722 -10.272 -9.932 1.00 0.00 H new ATOM 825 N GLU A 54 -0.499 -8.676 -7.402 1.00 0.00 N ATOM 826 CA GLU A 54 -1.661 -7.863 -6.944 1.00 0.00 C ATOM 827 C GLU A 54 -1.236 -6.406 -6.767 1.00 0.00 C ATOM 828 O GLU A 54 -0.102 -6.113 -6.445 1.00 0.00 O ATOM 829 CB GLU A 54 -2.160 -8.401 -5.603 1.00 0.00 C ATOM 830 CG GLU A 54 -3.444 -7.674 -5.209 1.00 0.00 C ATOM 831 CD GLU A 54 -3.866 -8.102 -3.801 1.00 0.00 C ATOM 832 OE1 GLU A 54 -3.102 -8.809 -3.166 1.00 0.00 O ATOM 833 OE2 GLU A 54 -4.948 -7.721 -3.385 1.00 0.00 O ATOM 0 H GLU A 54 0.046 -9.110 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.455 -7.924 -7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.344 -9.473 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.399 -8.259 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.287 -6.596 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.236 -7.902 -5.922 1.00 0.00 H new ATOM 841 N ASP A 55 -2.139 -5.487 -6.979 1.00 0.00 N ATOM 842 CA ASP A 55 -1.790 -4.047 -6.825 1.00 0.00 C ATOM 843 C ASP A 55 -1.648 -3.708 -5.345 1.00 0.00 C ATOM 844 O ASP A 55 -2.148 -4.400 -4.482 1.00 0.00 O ATOM 845 CB ASP A 55 -2.890 -3.172 -7.417 1.00 0.00 C ATOM 846 CG ASP A 55 -2.414 -1.718 -7.464 1.00 0.00 C ATOM 847 OD1 ASP A 55 -2.597 -1.024 -6.477 1.00 0.00 O ATOM 848 OD2 ASP A 55 -1.877 -1.324 -8.485 1.00 0.00 O ATOM 0 H ASP A 55 -3.104 -5.672 -7.252 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.851 -3.861 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.143 -3.516 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.795 -3.250 -6.815 1.00 0.00 H new ATOM 854 N ASP A 56 -0.974 -2.637 -5.054 1.00 0.00 N ATOM 855 CA ASP A 56 -0.801 -2.237 -3.629 1.00 0.00 C ATOM 856 C ASP A 56 -2.115 -1.655 -3.095 1.00 0.00 C ATOM 857 O ASP A 56 -2.601 -2.047 -2.053 1.00 0.00 O ATOM 858 CB ASP A 56 0.304 -1.182 -3.528 1.00 0.00 C ATOM 859 CG ASP A 56 1.623 -1.775 -4.026 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.722 -2.990 -4.079 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.512 -1.004 -4.348 1.00 0.00 O ATOM 0 H ASP A 56 -0.535 -2.020 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.527 -3.110 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.040 -0.306 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.410 -0.849 -2.496 1.00 0.00 H new ATOM 867 N LEU A 57 -2.689 -0.715 -3.799 1.00 0.00 N ATOM 868 CA LEU A 57 -3.966 -0.102 -3.329 1.00 0.00 C ATOM 869 C LEU A 57 -5.100 -1.128 -3.380 1.00 0.00 C ATOM 870 O LEU A 57 -5.899 -1.222 -2.471 1.00 0.00 O ATOM 871 CB LEU A 57 -4.317 1.094 -4.221 1.00 0.00 C ATOM 872 CG LEU A 57 -5.643 1.707 -3.766 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.526 2.184 -2.316 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.989 2.900 -4.663 1.00 0.00 C ATOM 0 H LEU A 57 -2.329 -0.345 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.839 0.231 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.525 1.841 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.391 0.775 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.427 0.953 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.474 2.619 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.282 1.338 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.739 2.935 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.934 3.337 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.200 3.649 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.080 2.564 -5.696 1.00 0.00 H new ATOM 886 N GLU A 58 -5.181 -1.901 -4.432 1.00 0.00 N ATOM 887 CA GLU A 58 -6.275 -2.909 -4.523 1.00 0.00 C ATOM 888 C GLU A 58 -6.229 -3.801 -3.286 1.00 0.00 C ATOM 889 O GLU A 58 -7.248 -4.154 -2.726 1.00 0.00 O ATOM 890 CB GLU A 58 -6.092 -3.765 -5.780 1.00 0.00 C ATOM 891 CG GLU A 58 -6.476 -2.955 -7.024 1.00 0.00 C ATOM 892 CD GLU A 58 -5.973 -1.515 -6.891 1.00 0.00 C ATOM 893 OE1 GLU A 58 -6.757 -0.613 -7.132 1.00 0.00 O ATOM 894 OE2 GLU A 58 -4.813 -1.338 -6.565 1.00 0.00 O ATOM 0 H GLU A 58 -4.541 -1.877 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.237 -2.400 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.057 -4.097 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.710 -4.661 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.049 -3.417 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.559 -2.960 -7.151 1.00 0.00 H new ATOM 902 N THR A 59 -5.054 -4.145 -2.834 1.00 0.00 N ATOM 903 CA THR A 59 -4.962 -4.983 -1.609 1.00 0.00 C ATOM 904 C THR A 59 -5.646 -4.222 -0.480 1.00 0.00 C ATOM 905 O THR A 59 -6.393 -4.777 0.299 1.00 0.00 O ATOM 906 CB THR A 59 -3.492 -5.242 -1.273 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.905 -5.984 -2.331 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.386 -6.031 0.033 1.00 0.00 C ATOM 0 H THR A 59 -4.163 -3.884 -3.256 1.00 0.00 H new ATOM 0 HA THR A 59 -5.448 -5.948 -1.757 1.00 0.00 H new ATOM 0 HB THR A 59 -2.970 -4.293 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.645 -5.375 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.336 -6.211 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.843 -5.460 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.903 -6.985 -0.075 1.00 0.00 H new ATOM 916 N ALA A 60 -5.419 -2.938 -0.410 1.00 0.00 N ATOM 917 CA ALA A 60 -6.084 -2.127 0.640 1.00 0.00 C ATOM 918 C ALA A 60 -7.586 -2.095 0.340 1.00 0.00 C ATOM 919 O ALA A 60 -8.410 -2.238 1.220 1.00 0.00 O ATOM 920 CB ALA A 60 -5.525 -0.704 0.616 1.00 0.00 C ATOM 0 H ALA A 60 -4.802 -2.420 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.905 -2.561 1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.013 -0.108 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.452 -0.732 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.711 -0.256 -0.360 1.00 0.00 H new ATOM 926 N LEU A 61 -7.939 -1.923 -0.909 1.00 0.00 N ATOM 927 CA LEU A 61 -9.383 -1.893 -1.287 1.00 0.00 C ATOM 928 C LEU A 61 -10.036 -3.219 -0.898 1.00 0.00 C ATOM 929 O LEU A 61 -11.051 -3.255 -0.232 1.00 0.00 O ATOM 930 CB LEU A 61 -9.486 -1.728 -2.802 1.00 0.00 C ATOM 931 CG LEU A 61 -8.825 -0.422 -3.229 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.859 -0.327 -4.753 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.582 0.761 -2.618 1.00 0.00 C ATOM 0 H LEU A 61 -7.287 -1.802 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.882 -1.070 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.005 -2.569 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.533 -1.732 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.792 -0.398 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.389 0.604 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.319 -1.171 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.894 -0.346 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.108 1.694 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.616 0.749 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.562 0.684 -1.531 1.00 0.00 H new ATOM 945 N ARG A 62 -9.451 -4.307 -1.311 1.00 0.00 N ATOM 946 CA ARG A 62 -10.021 -5.639 -0.971 1.00 0.00 C ATOM 947 C ARG A 62 -10.009 -5.822 0.547 1.00 0.00 C ATOM 948 O ARG A 62 -10.956 -6.307 1.134 1.00 0.00 O ATOM 949 CB ARG A 62 -9.175 -6.731 -1.628 1.00 0.00 C ATOM 950 CG ARG A 62 -9.830 -8.095 -1.403 1.00 0.00 C ATOM 951 CD ARG A 62 -8.986 -9.183 -2.070 1.00 0.00 C ATOM 952 NE ARG A 62 -7.686 -9.309 -1.354 1.00 0.00 N ATOM 953 CZ ARG A 62 -6.649 -9.806 -1.969 1.00 0.00 C ATOM 954 NH1 ARG A 62 -6.751 -10.201 -3.208 1.00 0.00 N ATOM 955 NH2 ARG A 62 -5.511 -9.912 -1.339 1.00 0.00 N ATOM 0 H ARG A 62 -8.599 -4.331 -1.872 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.046 -5.706 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.077 -6.536 -2.696 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.169 -6.726 -1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.922 -8.294 -0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.839 -8.098 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.518 -10.134 -2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.814 -8.935 -3.117 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.607 -9.007 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.643 -10.121 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.939 -10.590 -3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.435 -9.607 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.698 -10.300 -1.817 1.00 0.00 H new ATOM 969 N ALA A 63 -8.941 -5.432 1.189 1.00 0.00 N ATOM 970 CA ALA A 63 -8.865 -5.576 2.669 1.00 0.00 C ATOM 971 C ALA A 63 -9.871 -4.629 3.325 1.00 0.00 C ATOM 972 O ALA A 63 -10.444 -4.928 4.354 1.00 0.00 O ATOM 973 CB ALA A 63 -7.452 -5.229 3.141 1.00 0.00 C ATOM 0 H ALA A 63 -8.117 -5.020 0.751 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.099 -6.603 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.394 -5.334 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.736 -5.904 2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.218 -4.201 2.863 1.00 0.00 H new ATOM 979 N THR A 64 -10.083 -3.484 2.736 1.00 0.00 N ATOM 980 CA THR A 64 -11.047 -2.509 3.320 1.00 0.00 C ATOM 981 C THR A 64 -12.438 -3.138 3.411 1.00 0.00 C ATOM 982 O THR A 64 -13.112 -3.036 4.416 1.00 0.00 O ATOM 983 CB THR A 64 -11.109 -1.275 2.421 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.793 -0.790 2.201 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.941 -0.188 3.095 1.00 0.00 C ATOM 0 H THR A 64 -9.629 -3.181 1.874 1.00 0.00 H new ATOM 0 HA THR A 64 -10.717 -2.229 4.320 1.00 0.00 H new ATOM 0 HB THR A 64 -11.568 -1.543 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.362 -1.320 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.983 0.690 2.451 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.951 -0.559 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.484 0.082 4.047 1.00 0.00 H new ATOM 993 N GLN A 65 -12.878 -3.779 2.365 1.00 0.00 N ATOM 994 CA GLN A 65 -14.229 -4.407 2.390 1.00 0.00 C ATOM 995 C GLN A 65 -14.181 -5.743 3.138 1.00 0.00 C ATOM 996 O GLN A 65 -15.087 -6.083 3.873 1.00 0.00 O ATOM 997 CB GLN A 65 -14.716 -4.613 0.953 1.00 0.00 C ATOM 998 CG GLN A 65 -15.372 -5.987 0.812 1.00 0.00 C ATOM 999 CD GLN A 65 -16.042 -6.093 -0.559 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -15.397 -5.934 -1.576 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -17.317 -6.359 -0.631 1.00 0.00 N ATOM 0 H GLN A 65 -12.361 -3.896 1.494 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.924 -3.751 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.429 -3.832 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.878 -4.529 0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.625 -6.772 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.109 -6.133 1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.859 -6.493 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.772 -6.433 -1.541 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.141 -6.508 2.956 1.00 0.00 N ATOM 1011 CA GLU A 66 -13.055 -7.822 3.658 1.00 0.00 C ATOM 1012 C GLU A 66 -13.033 -7.609 5.176 1.00 0.00 C ATOM 1013 O GLU A 66 -13.605 -8.377 5.922 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.771 -8.540 3.235 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.902 -9.022 1.788 1.00 0.00 C ATOM 1016 CD GLU A 66 -12.969 -10.115 1.709 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.323 -10.646 2.749 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.411 -10.406 0.610 1.00 0.00 O ATOM 0 H GLU A 66 -12.349 -6.283 2.354 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.924 -8.423 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.919 -7.867 3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.582 -9.387 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.171 -8.189 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.946 -9.406 1.433 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.376 -6.581 5.637 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.320 -6.336 7.108 1.00 0.00 C ATOM 1028 C GLU A 67 -13.285 -5.214 7.503 1.00 0.00 C ATOM 1029 O GLU A 67 -13.337 -4.812 8.648 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.896 -5.943 7.502 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.953 -7.122 7.259 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.542 -6.753 7.719 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.699 -7.635 7.743 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.329 -5.596 8.038 1.00 0.00 O ATOM 0 H GLU A 67 -11.877 -5.902 5.063 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.612 -7.249 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.572 -5.080 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.866 -5.650 8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.305 -8.000 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.945 -7.382 6.201 1.00 0.00 H new ATOM 1042 N ALA A 68 -14.048 -4.701 6.577 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.996 -3.606 6.931 1.00 0.00 C ATOM 1044 C ALA A 68 -16.241 -3.683 6.047 1.00 0.00 C ATOM 1045 O ALA A 68 -17.308 -3.239 6.422 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.315 -2.255 6.718 1.00 0.00 C ATOM 0 H ALA A 68 -14.057 -4.989 5.599 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.288 -3.715 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.007 -1.454 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.431 -2.189 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.020 -2.157 5.673 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.115 -4.230 4.872 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.293 -4.324 3.966 1.00 0.00 C ATOM 1054 C GLY A 69 -17.344 -3.080 3.081 1.00 0.00 C ATOM 1055 O GLY A 69 -18.226 -2.925 2.258 1.00 0.00 O ATOM 0 H GLY A 69 -15.248 -4.616 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.223 -5.221 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.210 -4.408 4.549 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.403 -2.190 3.242 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.398 -0.958 2.412 1.00 0.00 C ATOM 1061 C ILE A 70 -15.298 -1.072 1.350 1.00 0.00 C ATOM 1062 O ILE A 70 -14.148 -1.300 1.661 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.121 0.261 3.297 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.927 0.168 4.597 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.559 1.514 2.545 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.313 1.086 5.659 1.00 0.00 C ATOM 0 H ILE A 70 -15.639 -2.265 3.913 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.369 -0.841 1.930 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.058 0.299 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.963 0.452 4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.937 -0.861 4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.369 2.393 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.997 1.595 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.624 1.451 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.891 1.014 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.284 0.782 5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.326 2.116 5.301 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.648 -0.915 0.102 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.629 -1.014 -0.983 1.00 0.00 C ATOM 1080 C GLU A 71 -14.499 0.322 -1.708 1.00 0.00 C ATOM 1081 O GLU A 71 -15.285 1.225 -1.518 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.037 -2.107 -1.975 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.175 -2.023 -3.240 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.562 -3.151 -4.195 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -13.938 -3.257 -5.237 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -15.479 -3.889 -3.871 1.00 0.00 O ATOM 0 H GLU A 71 -16.598 -0.722 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.665 -1.269 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.924 -3.088 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.090 -1.997 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.315 -1.057 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.119 -2.099 -2.979 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.511 0.444 -2.545 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.324 1.717 -3.296 1.00 0.00 C ATOM 1096 C ALA A 72 -14.651 2.116 -3.931 1.00 0.00 C ATOM 1097 O ALA A 72 -14.977 3.281 -4.035 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.270 1.521 -4.381 1.00 0.00 C ATOM 0 H ALA A 72 -12.823 -0.282 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.992 2.502 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.135 2.453 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.325 1.229 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.596 0.740 -5.068 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.436 1.157 -4.330 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.756 1.487 -4.926 1.00 0.00 C ATOM 1106 C GLY A 73 -17.645 2.034 -3.815 1.00 0.00 C ATOM 1107 O GLY A 73 -18.771 2.430 -4.036 1.00 0.00 O ATOM 0 H GLY A 73 -15.221 0.162 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.643 2.223 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.206 0.601 -5.373 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.132 2.045 -2.613 1.00 0.00 N ATOM 1112 CA GLN A 74 -17.923 2.554 -1.460 1.00 0.00 C ATOM 1113 C GLN A 74 -17.179 3.716 -0.783 1.00 0.00 C ATOM 1114 O GLN A 74 -17.749 4.430 0.017 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.147 1.421 -0.460 1.00 0.00 C ATOM 1116 CG GLN A 74 -18.982 0.319 -1.117 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.250 -0.790 -0.100 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -18.443 -1.683 0.068 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.354 -0.769 0.592 1.00 0.00 N ATOM 0 H GLN A 74 -16.193 1.721 -2.382 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.887 2.918 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.189 1.019 -0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.657 1.799 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -19.924 0.729 -1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.455 -0.085 -1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.031 -0.019 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.542 -1.503 1.275 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.925 3.931 -1.106 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.194 5.080 -0.480 1.00 0.00 C ATOM 1130 C LEU A 75 -14.479 5.888 -1.560 1.00 0.00 C ATOM 1131 O LEU A 75 -14.601 5.626 -2.741 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.138 4.639 0.559 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.965 3.119 0.601 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.696 2.735 -0.163 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.811 2.661 2.052 1.00 0.00 C ATOM 0 H LEU A 75 -15.383 3.371 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.949 5.674 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.182 5.105 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.431 4.997 1.546 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.838 2.646 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.568 1.653 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.781 3.065 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.833 3.214 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.688 1.578 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.936 3.138 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.700 2.940 2.618 1.00 0.00 H new ATOM 1147 N THR A 76 -13.730 6.869 -1.147 1.00 0.00 N ATOM 1148 CA THR A 76 -12.983 7.714 -2.117 1.00 0.00 C ATOM 1149 C THR A 76 -11.510 7.735 -1.715 1.00 0.00 C ATOM 1150 O THR A 76 -11.161 8.204 -0.653 1.00 0.00 O ATOM 1151 CB THR A 76 -13.545 9.137 -2.076 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.903 9.125 -2.492 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.727 10.044 -2.993 1.00 0.00 C ATOM 0 H THR A 76 -13.602 7.124 -0.168 1.00 0.00 H new ATOM 0 HA THR A 76 -13.085 7.312 -3.125 1.00 0.00 H new ATOM 0 HB THR A 76 -13.486 9.519 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.262 10.036 -2.464 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.132 11.055 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.689 10.057 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.775 9.667 -4.015 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.639 7.241 -2.551 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.193 7.247 -2.195 1.00 0.00 C ATOM 1163 C ILE A 77 -8.602 8.597 -2.605 1.00 0.00 C ATOM 1164 O ILE A 77 -8.790 9.051 -3.717 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.473 6.119 -2.943 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.320 4.839 -2.911 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.121 5.850 -2.278 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.398 4.282 -1.484 1.00 0.00 C ATOM 0 H ILE A 77 -10.864 6.836 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.069 7.093 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.321 6.420 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.323 5.051 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.886 4.092 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.608 5.048 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.513 6.754 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.278 5.556 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.002 3.375 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.394 4.051 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.853 5.024 -0.828 1.00 0.00 H new ATOM 1180 N ILE A 78 -7.909 9.256 -1.717 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.335 10.586 -2.068 1.00 0.00 C ATOM 1182 C ILE A 78 -5.947 10.423 -2.684 1.00 0.00 C ATOM 1183 O ILE A 78 -5.141 9.630 -2.243 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.251 11.459 -0.815 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.290 12.575 -0.914 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.854 12.074 -0.691 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.694 11.973 -0.842 1.00 0.00 C ATOM 0 H ILE A 78 -7.716 8.933 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.985 11.067 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.445 10.845 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.148 13.291 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.165 13.121 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.807 12.693 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.111 11.279 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.648 12.688 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.435 12.769 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.833 11.274 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.816 11.447 0.105 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.674 11.182 -3.707 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.349 11.102 -4.382 1.00 0.00 C ATOM 1201 C GLU A 79 -3.460 12.254 -3.913 1.00 0.00 C ATOM 1202 O GLU A 79 -3.934 13.312 -3.547 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.550 11.192 -5.894 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.408 10.015 -6.362 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.575 10.074 -7.880 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -6.094 9.122 -8.438 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -5.181 11.072 -8.461 1.00 0.00 O ATOM 0 H GLU A 79 -6.319 11.862 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.869 10.156 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.033 12.134 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.586 11.178 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.940 9.074 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.384 10.048 -5.877 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.172 12.056 -3.924 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.240 13.131 -3.482 1.00 0.00 C ATOM 1217 C GLY A 80 -0.685 12.781 -2.104 1.00 0.00 C ATOM 1218 O GLY A 80 0.406 13.175 -1.742 1.00 0.00 O ATOM 0 H GLY A 80 -1.722 11.191 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.425 13.239 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.761 14.088 -3.445 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.423 12.029 -1.337 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.931 11.637 0.013 1.00 0.00 C ATOM 1224 C PHE A 81 -0.551 10.159 0.006 1.00 0.00 C ATOM 1225 O PHE A 81 -1.340 9.311 -0.358 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.028 11.853 1.052 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.557 11.297 2.370 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.680 9.928 2.631 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -0.987 12.142 3.325 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.232 9.404 3.848 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.538 11.619 4.541 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.663 10.251 4.804 1.00 0.00 C ATOM 0 H PHE A 81 -2.344 11.669 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.064 12.248 0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.254 12.915 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.948 11.358 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.121 9.275 1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.893 13.199 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.325 8.347 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.094 12.272 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.320 9.849 5.746 1.00 0.00 H new ATOM 1242 N LYS A 82 0.642 9.836 0.418 1.00 0.00 N ATOM 1243 CA LYS A 82 1.036 8.404 0.446 1.00 0.00 C ATOM 1244 C LYS A 82 2.185 8.198 1.426 1.00 0.00 C ATOM 1245 O LYS A 82 3.190 8.881 1.386 1.00 0.00 O ATOM 1246 CB LYS A 82 1.485 7.952 -0.937 1.00 0.00 C ATOM 1247 CG LYS A 82 1.216 6.452 -1.086 1.00 0.00 C ATOM 1248 CD LYS A 82 1.753 5.967 -2.435 1.00 0.00 C ATOM 1249 CE LYS A 82 3.281 5.889 -2.387 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.860 6.903 -3.312 1.00 0.00 N ATOM 0 H LYS A 82 1.354 10.495 0.733 1.00 0.00 H new ATOM 0 HA LYS A 82 0.172 7.818 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.950 8.508 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.546 8.159 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.694 5.904 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.146 6.255 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.337 4.988 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.439 6.647 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.633 6.066 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.614 4.891 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.898 6.850 -3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.534 6.715 -4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.553 7.853 -3.022 1.00 0.00 H new ATOM 1264 N ARG A 83 2.044 7.248 2.295 1.00 0.00 N ATOM 1265 CA ARG A 83 3.117 6.955 3.282 1.00 0.00 C ATOM 1266 C ARG A 83 2.987 5.505 3.728 1.00 0.00 C ATOM 1267 O ARG A 83 1.938 4.906 3.602 1.00 0.00 O ATOM 1268 CB ARG A 83 2.977 7.859 4.503 1.00 0.00 C ATOM 1269 CG ARG A 83 3.233 9.311 4.107 1.00 0.00 C ATOM 1270 CD ARG A 83 3.308 10.165 5.372 1.00 0.00 C ATOM 1271 NE ARG A 83 3.211 11.604 5.011 1.00 0.00 N ATOM 1272 CZ ARG A 83 3.761 12.505 5.777 1.00 0.00 C ATOM 1273 NH1 ARG A 83 4.403 12.142 6.853 1.00 0.00 N ATOM 1274 NH2 ARG A 83 3.669 13.770 5.465 1.00 0.00 N ATOM 0 H ARG A 83 1.220 6.651 2.368 1.00 0.00 H new ATOM 0 HA ARG A 83 4.088 7.131 2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.978 7.759 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.683 7.554 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.163 9.389 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.435 9.670 3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.500 9.896 6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.244 9.974 5.897 1.00 0.00 H new ATOM 0 HE ARG A 83 2.715 11.886 4.166 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.475 11.154 7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.833 12.846 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.167 14.052 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.099 14.475 6.063 1.00 0.00 H new ATOM 1288 N GLU A 84 4.029 4.933 4.259 1.00 0.00 N ATOM 1289 CA GLU A 84 3.920 3.525 4.717 1.00 0.00 C ATOM 1290 C GLU A 84 4.558 3.364 6.089 1.00 0.00 C ATOM 1291 O GLU A 84 5.626 3.877 6.356 1.00 0.00 O ATOM 1292 CB GLU A 84 4.602 2.577 3.733 1.00 0.00 C ATOM 1293 CG GLU A 84 6.044 3.014 3.479 1.00 0.00 C ATOM 1294 CD GLU A 84 6.065 4.423 2.886 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.776 5.259 3.417 1.00 0.00 O ATOM 1296 OE2 GLU A 84 5.364 4.645 1.911 1.00 0.00 O ATOM 0 H GLU A 84 4.939 5.373 4.394 1.00 0.00 H new ATOM 0 HA GLU A 84 2.861 3.275 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.588 1.561 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.050 2.561 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.609 2.994 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.530 2.316 2.797 1.00 0.00 H new ATOM 1304 N LEU A 85 3.918 2.634 6.958 1.00 0.00 N ATOM 1305 CA LEU A 85 4.497 2.418 8.304 1.00 0.00 C ATOM 1306 C LEU A 85 5.299 1.125 8.256 1.00 0.00 C ATOM 1307 O LEU A 85 4.774 0.071 7.957 1.00 0.00 O ATOM 1308 CB LEU A 85 3.372 2.306 9.336 1.00 0.00 C ATOM 1309 CG LEU A 85 2.382 3.460 9.140 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.517 3.623 10.391 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.139 4.762 8.872 1.00 0.00 C ATOM 0 H LEU A 85 3.020 2.180 6.791 1.00 0.00 H new ATOM 0 HA LEU A 85 5.139 3.251 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.859 1.350 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.785 2.334 10.344 1.00 0.00 H new ATOM 0 HG LEU A 85 1.744 3.233 8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.816 4.445 10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.963 2.702 10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.154 3.839 11.249 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.427 5.575 8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.787 4.987 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.743 4.653 7.972 1.00 0.00 H new ATOM 1323 N ASN A 86 6.573 1.196 8.521 1.00 0.00 N ATOM 1324 CA ASN A 86 7.407 -0.033 8.457 1.00 0.00 C ATOM 1325 C ASN A 86 7.998 -0.328 9.833 1.00 0.00 C ATOM 1326 O ASN A 86 8.644 0.505 10.435 1.00 0.00 O ATOM 1327 CB ASN A 86 8.537 0.179 7.448 1.00 0.00 C ATOM 1328 CG ASN A 86 7.944 0.669 6.122 1.00 0.00 C ATOM 1329 OD1 ASN A 86 6.742 0.777 5.982 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.743 0.969 5.135 1.00 0.00 N ATOM 0 H ASN A 86 7.070 2.049 8.778 1.00 0.00 H new ATOM 0 HA ASN A 86 6.790 -0.876 8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.251 0.907 7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.083 -0.752 7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.358 1.294 4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.752 0.879 5.251 1.00 0.00 H new ATOM 1337 N TYR A 87 7.783 -1.512 10.333 1.00 0.00 N ATOM 1338 CA TYR A 87 8.332 -1.870 11.664 1.00 0.00 C ATOM 1339 C TYR A 87 8.232 -3.375 11.856 1.00 0.00 C ATOM 1340 O TYR A 87 7.391 -4.032 11.273 1.00 0.00 O ATOM 1341 CB TYR A 87 7.529 -1.164 12.753 1.00 0.00 C ATOM 1342 CG TYR A 87 6.052 -1.375 12.513 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.448 -2.587 12.874 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.282 -0.360 11.926 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.081 -2.785 12.650 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.914 -0.559 11.703 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.313 -1.769 12.064 1.00 0.00 C ATOM 1348 OH TYR A 87 1.965 -1.961 11.845 1.00 0.00 O ATOM 0 H TYR A 87 7.248 -2.249 9.873 1.00 0.00 H new ATOM 0 HA TYR A 87 9.375 -1.560 11.726 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.807 -1.552 13.733 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.759 -0.098 12.755 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.039 -3.370 13.326 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.744 0.575 11.646 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.618 -3.720 12.928 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.322 0.223 11.251 1.00 0.00 H new ATOM 0 HH TYR A 87 1.583 -1.158 11.433 1.00 0.00 H new ATOM 1444 N PRO A 93 9.566 -7.424 9.872 1.00 0.00 N ATOM 1445 CA PRO A 93 9.298 -6.017 9.451 1.00 0.00 C ATOM 1446 C PRO A 93 8.215 -5.960 8.392 1.00 0.00 C ATOM 1447 O PRO A 93 8.270 -6.666 7.411 1.00 0.00 O ATOM 1448 CB PRO A 93 10.622 -5.569 8.858 1.00 0.00 C ATOM 1449 CG PRO A 93 11.211 -6.817 8.298 1.00 0.00 C ATOM 1450 CD PRO A 93 10.767 -7.952 9.220 1.00 0.00 C ATOM 0 HA PRO A 93 8.953 -5.394 10.276 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.477 -4.815 8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.269 -5.128 9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.865 -6.987 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.298 -6.750 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.551 -8.861 8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.540 -8.202 9.947 1.00 0.00 H new ATOM 1458 N LYS A 94 7.236 -5.133 8.568 1.00 0.00 N ATOM 1459 CA LYS A 94 6.153 -5.063 7.549 1.00 0.00 C ATOM 1460 C LYS A 94 5.986 -3.643 7.027 1.00 0.00 C ATOM 1461 O LYS A 94 5.717 -2.726 7.776 1.00 0.00 O ATOM 1462 CB LYS A 94 4.836 -5.509 8.182 1.00 0.00 C ATOM 1463 CG LYS A 94 4.894 -7.004 8.501 1.00 0.00 C ATOM 1464 CD LYS A 94 3.618 -7.428 9.234 1.00 0.00 C ATOM 1465 CE LYS A 94 2.430 -7.393 8.267 1.00 0.00 C ATOM 1466 NZ LYS A 94 2.011 -8.786 7.940 1.00 0.00 N ATOM 0 H LYS A 94 7.133 -4.504 9.365 1.00 0.00 H new ATOM 0 HA LYS A 94 6.421 -5.716 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.649 -4.941 9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.008 -5.305 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.003 -7.578 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.767 -7.220 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.738 -8.432 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.433 -6.762 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.599 -6.848 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.705 -6.862 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.036 -8.779 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.646 -9.179 7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.059 -9.373 8.797 1.00 0.00 H new ATOM 1480 N THR A 95 6.095 -3.463 5.740 1.00 0.00 N ATOM 1481 CA THR A 95 5.891 -2.107 5.174 1.00 0.00 C ATOM 1482 C THR A 95 4.405 -1.959 4.894 1.00 0.00 C ATOM 1483 O THR A 95 3.831 -2.708 4.129 1.00 0.00 O ATOM 1484 CB THR A 95 6.672 -1.950 3.866 1.00 0.00 C ATOM 1485 OG1 THR A 95 8.056 -1.826 4.158 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.189 -0.701 3.125 1.00 0.00 C ATOM 0 H THR A 95 6.315 -4.193 5.062 1.00 0.00 H new ATOM 0 HA THR A 95 6.243 -1.348 5.872 1.00 0.00 H new ATOM 0 HB THR A 95 6.509 -2.825 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.559 -1.727 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.746 -0.592 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.126 -0.798 2.902 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.350 0.178 3.750 1.00 0.00 H new ATOM 1494 N VAL A 96 3.772 -1.018 5.525 1.00 0.00 N ATOM 1495 CA VAL A 96 2.316 -0.840 5.314 1.00 0.00 C ATOM 1496 C VAL A 96 2.072 0.490 4.616 1.00 0.00 C ATOM 1497 O VAL A 96 2.441 1.529 5.109 1.00 0.00 O ATOM 1498 CB VAL A 96 1.623 -0.841 6.678 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.113 -0.689 6.488 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.910 -2.168 7.390 1.00 0.00 C ATOM 0 H VAL A 96 4.201 -0.363 6.179 1.00 0.00 H new ATOM 0 HA VAL A 96 1.920 -1.647 4.698 1.00 0.00 H new ATOM 0 HB VAL A 96 1.999 -0.011 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.378 -0.690 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.097 0.251 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.264 -1.519 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.418 -2.173 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.531 -2.994 6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.985 -2.282 7.527 1.00 0.00 H new ATOM 1510 N ILE A 97 1.439 0.463 3.478 1.00 0.00 N ATOM 1511 CA ILE A 97 1.158 1.729 2.747 1.00 0.00 C ATOM 1512 C ILE A 97 -0.289 2.124 3.019 1.00 0.00 C ATOM 1513 O ILE A 97 -1.198 1.339 2.836 1.00 0.00 O ATOM 1514 CB ILE A 97 1.368 1.505 1.247 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.800 0.997 1.013 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.141 2.817 0.494 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.700 2.128 0.498 1.00 0.00 C ATOM 0 H ILE A 97 1.103 -0.384 3.021 1.00 0.00 H new ATOM 0 HA ILE A 97 1.828 2.522 3.080 1.00 0.00 H new ATOM 0 HB ILE A 97 0.658 0.765 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.206 0.597 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.788 0.179 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.291 2.655 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.123 3.165 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.847 3.567 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.709 1.747 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.304 2.508 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.728 2.933 1.232 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.510 3.324 3.483 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.905 3.742 3.794 1.00 0.00 C ATOM 1531 C TYR A 98 -2.366 4.870 2.873 1.00 0.00 C ATOM 1532 O TYR A 98 -1.700 5.872 2.708 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.981 4.259 5.228 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.923 3.120 6.219 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -2.952 2.170 6.263 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.844 3.022 7.104 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -2.901 1.125 7.192 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.794 1.978 8.035 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.823 1.029 8.078 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.773 0.001 8.999 1.00 0.00 O ATOM 0 H TYR A 98 0.208 4.027 3.659 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.545 2.871 3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.158 4.949 5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.905 4.820 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.785 2.244 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.049 3.752 7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.694 0.393 7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.038 1.904 8.720 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.957 0.082 9.536 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.535 4.727 2.317 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.100 5.796 1.454 1.00 0.00 C ATOM 1552 C TRP A 99 -5.301 6.383 2.194 1.00 0.00 C ATOM 1553 O TRP A 99 -6.035 5.668 2.848 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.568 5.209 0.122 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.418 5.067 -0.818 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.930 6.052 -1.603 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.619 3.882 -1.102 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.877 5.552 -2.349 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.649 4.217 -2.076 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.641 2.565 -0.613 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.736 3.276 -2.549 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.722 1.615 -1.086 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.773 1.971 -2.054 1.00 0.00 C ATOM 0 H TRP A 99 -4.129 3.905 2.426 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.347 6.557 1.249 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.031 4.237 0.289 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.329 5.853 -0.319 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.301 7.065 -1.642 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.336 6.101 -3.017 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.370 2.282 0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.005 3.554 -3.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.746 0.606 -0.702 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.070 1.236 -2.417 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.524 7.662 2.112 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.696 8.228 2.834 1.00 0.00 C ATOM 1576 C LEU A 100 -7.959 7.849 2.065 1.00 0.00 C ATOM 1577 O LEU A 100 -7.989 7.894 0.850 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.576 9.749 2.917 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.102 10.154 2.850 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.961 11.638 3.185 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.293 9.333 3.855 1.00 0.00 C ATOM 0 H LEU A 100 -4.959 8.330 1.588 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.738 7.830 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.128 10.212 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.020 10.108 3.845 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.728 9.968 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.910 11.924 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.531 12.229 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.341 11.822 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.244 9.625 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.671 9.514 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.386 8.273 3.618 1.00 0.00 H new ATOM 1593 N ALA A 101 -8.998 7.460 2.751 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.243 7.063 2.038 1.00 0.00 C ATOM 1595 C ALA A 101 -11.462 7.661 2.733 1.00 0.00 C ATOM 1596 O ALA A 101 -11.454 7.911 3.919 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.358 5.540 2.035 1.00 0.00 C ATOM 0 H ALA A 101 -9.039 7.400 3.768 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.201 7.435 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.269 5.245 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.494 5.111 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.393 5.176 3.062 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.517 7.882 2.001 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.749 8.454 2.610 1.00 0.00 C ATOM 1605 C GLU A 102 -14.943 7.583 2.229 1.00 0.00 C ATOM 1606 O GLU A 102 -15.227 7.397 1.066 1.00 0.00 O ATOM 1607 CB GLU A 102 -13.965 9.872 2.072 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.198 10.491 2.731 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.511 11.831 2.063 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -16.497 12.443 2.440 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -14.761 12.221 1.183 1.00 0.00 O ATOM 0 H GLU A 102 -12.579 7.690 1.001 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.646 8.485 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.087 10.485 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.094 9.845 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.050 9.818 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.021 10.636 3.797 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.650 7.053 3.192 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.824 6.201 2.855 1.00 0.00 C ATOM 1621 C VAL A 103 -17.995 7.097 2.442 1.00 0.00 C ATOM 1622 O VAL A 103 -18.308 8.078 3.086 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.188 5.318 4.050 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.928 4.628 4.550 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.765 6.158 5.184 1.00 0.00 C ATOM 0 H VAL A 103 -15.466 7.173 4.188 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.581 5.544 2.020 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.933 4.587 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.174 3.995 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.508 4.015 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.198 5.379 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.017 5.511 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.028 6.895 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.663 6.669 4.837 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.606 6.778 1.338 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.727 7.606 0.806 1.00 0.00 C ATOM 1637 C LYS A 104 -20.892 7.697 1.796 1.00 0.00 C ATOM 1638 O LYS A 104 -21.494 8.739 1.959 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.243 6.940 -0.465 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.106 6.814 -1.473 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.607 6.023 -2.677 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.437 5.714 -3.613 1.00 0.00 C ATOM 1643 NZ LYS A 104 -18.535 6.568 -4.829 1.00 0.00 N ATOM 0 H LYS A 104 -18.373 5.964 0.770 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.352 8.613 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.648 5.955 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.057 7.527 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.766 7.802 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.252 6.311 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.075 5.096 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.369 6.594 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.491 5.896 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.450 4.661 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.740 6.358 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.431 6.373 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.502 7.570 -4.553 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.251 6.612 2.419 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.422 6.650 3.348 1.00 0.00 C ATOM 1659 C ASP A 105 -21.988 6.890 4.790 1.00 0.00 C ATOM 1660 O ASP A 105 -21.039 6.315 5.276 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.172 5.324 3.271 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.666 5.587 3.069 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -24.995 6.396 2.219 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.456 4.973 3.768 1.00 0.00 O ATOM 0 H ASP A 105 -20.792 5.706 2.330 1.00 0.00 H new ATOM 0 HA ASP A 105 -23.066 7.474 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.784 4.723 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.014 4.752 4.185 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.718 7.718 5.481 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.405 7.991 6.907 1.00 0.00 C ATOM 1672 C TYR A 106 -22.626 6.707 7.702 1.00 0.00 C ATOM 1673 O TYR A 106 -21.857 6.354 8.575 1.00 0.00 O ATOM 1674 CB TYR A 106 -23.341 9.089 7.422 1.00 0.00 C ATOM 1675 CG TYR A 106 -23.430 9.033 8.929 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -22.279 8.819 9.695 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -24.669 9.200 9.556 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -22.368 8.774 11.091 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -24.759 9.154 10.953 1.00 0.00 C ATOM 1680 CZ TYR A 106 -23.608 8.940 11.719 1.00 0.00 C ATOM 1681 OH TYR A 106 -23.695 8.894 13.094 1.00 0.00 O ATOM 0 H TYR A 106 -23.526 8.221 5.114 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.372 8.321 7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.975 10.066 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.333 8.965 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.323 8.689 9.210 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.556 9.364 8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -21.480 8.611 11.684 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -25.715 9.284 11.438 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.626 9.028 13.368 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.671 5.996 7.384 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.959 4.720 8.092 1.00 0.00 C ATOM 1693 C ASP A 107 -23.524 3.558 7.200 1.00 0.00 C ATOM 1694 O ASP A 107 -24.008 2.451 7.323 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.456 4.620 8.383 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.843 5.676 9.417 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -27.028 5.920 9.570 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -24.947 6.220 10.043 1.00 0.00 O ATOM 0 H ASP A 107 -24.342 6.247 6.658 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.415 4.685 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -26.027 4.767 7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.700 3.625 8.754 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.614 3.812 6.296 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.138 2.736 5.382 1.00 0.00 C ATOM 1706 C VAL A 108 -22.026 1.432 6.166 1.00 0.00 C ATOM 1707 O VAL A 108 -21.755 1.429 7.351 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.777 3.144 4.820 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.874 3.587 5.965 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.124 1.968 4.094 1.00 0.00 C ATOM 0 H VAL A 108 -22.179 4.723 6.152 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.837 2.590 4.558 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.918 3.962 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.901 3.879 5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.327 4.435 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.747 2.764 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.156 2.276 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.986 1.141 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.764 1.647 3.273 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.256 0.323 5.522 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.189 -0.973 6.242 1.00 0.00 C ATOM 1722 C GLU A 109 -20.773 -1.230 6.744 1.00 0.00 C ATOM 1723 O GLU A 109 -19.792 -0.910 6.102 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.622 -2.115 5.317 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.440 -3.049 5.036 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.836 -4.074 3.971 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -22.979 -4.047 3.545 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -20.989 -4.870 3.599 1.00 0.00 O ATOM 0 H GLU A 109 -22.487 0.260 4.530 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.865 -0.927 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.436 -2.676 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.004 -1.709 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.580 -2.471 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.141 -3.559 5.952 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.684 -1.827 7.885 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.358 -2.160 8.474 1.00 0.00 C ATOM 1738 C ILE A 110 -19.304 -3.660 8.747 1.00 0.00 C ATOM 1739 O ILE A 110 -19.917 -4.150 9.674 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.164 -1.396 9.784 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -19.002 0.100 9.491 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.920 -1.919 10.501 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.747 0.329 8.641 1.00 0.00 C ATOM 0 H ILE A 110 -21.485 -2.107 8.451 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.567 -1.878 7.779 1.00 0.00 H new ATOM 0 HB ILE A 110 -20.036 -1.543 10.421 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.881 0.475 8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.927 0.657 10.425 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.782 -1.374 11.435 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -18.043 -2.981 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -17.046 -1.776 9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.636 1.394 8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.871 -0.029 9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.840 -0.214 7.701 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.574 -4.392 7.952 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.489 -5.857 8.180 1.00 0.00 C ATOM 1757 C ARG A 111 -17.138 -6.191 8.788 1.00 0.00 C ATOM 1758 O ARG A 111 -16.100 -5.847 8.256 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.658 -6.603 6.862 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.945 -7.421 6.909 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.796 -8.564 7.919 1.00 0.00 C ATOM 1762 NE ARG A 111 -20.930 -9.518 7.758 1.00 0.00 N ATOM 1763 CZ ARG A 111 -22.145 -9.151 8.067 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -22.365 -7.954 8.537 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -23.138 -9.985 7.911 1.00 0.00 N ATOM 0 H ARG A 111 -18.037 -4.040 7.160 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.284 -6.162 8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -18.692 -5.897 6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.804 -7.257 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.783 -6.782 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.168 -7.823 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.848 -9.079 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.781 -8.167 8.934 1.00 0.00 H new ATOM 0 HE ARG A 111 -20.757 -10.459 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.588 -7.305 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -23.314 -7.667 8.778 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -22.965 -10.922 7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -24.087 -9.699 8.152 1.00 0.00 H new ATOM 1779 N LEU A 112 -17.142 -6.849 9.908 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.857 -7.195 10.570 1.00 0.00 C ATOM 1781 C LEU A 112 -15.605 -8.699 10.464 1.00 0.00 C ATOM 1782 O LEU A 112 -16.499 -9.504 10.645 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.926 -6.794 12.044 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.510 -5.383 12.181 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.313 -4.897 13.617 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.813 -4.416 11.215 1.00 0.00 C ATOM 0 H LEU A 112 -17.981 -7.164 10.396 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.043 -6.661 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.542 -7.506 12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.930 -6.828 12.485 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.572 -5.414 11.938 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.726 -3.894 13.721 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.823 -5.573 14.303 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.249 -4.877 13.852 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.240 -3.419 11.326 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.747 -4.381 11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.955 -4.760 10.190 1.00 0.00 H new ATOM 1798 N SER A 113 -14.390 -9.085 10.185 1.00 0.00 N ATOM 1799 CA SER A 113 -14.069 -10.536 10.084 1.00 0.00 C ATOM 1800 C SER A 113 -13.617 -11.036 11.455 1.00 0.00 C ATOM 1801 O SER A 113 -13.434 -10.264 12.374 1.00 0.00 O ATOM 1802 CB SER A 113 -12.945 -10.743 9.069 1.00 0.00 C ATOM 1803 OG SER A 113 -11.710 -10.347 9.649 1.00 0.00 O ATOM 0 H SER A 113 -13.604 -8.456 10.022 1.00 0.00 H new ATOM 0 HA SER A 113 -14.950 -11.089 9.759 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.900 -11.790 8.768 1.00 0.00 H new ATOM 0 HB3 SER A 113 -13.141 -10.160 8.169 1.00 0.00 H new ATOM 0 HG SER A 113 -10.987 -10.480 9.001 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.432 -12.315 11.606 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.989 -12.840 12.925 1.00 0.00 C ATOM 1811 C HIS A 114 -11.810 -12.002 13.418 1.00 0.00 C ATOM 1812 O HIS A 114 -11.637 -11.784 14.603 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.556 -14.298 12.778 1.00 0.00 C ATOM 1814 CG HIS A 114 -12.107 -14.826 14.111 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -12.978 -14.969 15.184 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -10.880 -15.247 14.563 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -12.267 -15.458 16.218 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -10.987 -15.645 15.890 1.00 0.00 N ATOM 0 H HIS A 114 -13.567 -13.017 10.878 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.809 -12.783 13.641 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -13.383 -14.897 12.398 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.746 -14.376 12.053 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.973 -15.266 13.978 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -12.681 -15.672 17.192 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.243 -16.005 16.488 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.994 -11.529 12.516 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.824 -10.705 12.924 1.00 0.00 C ATOM 1829 C GLU A 115 -10.300 -9.419 13.610 1.00 0.00 C ATOM 1830 O GLU A 115 -9.648 -8.904 14.493 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.999 -10.353 11.685 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.386 -11.631 11.105 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.503 -11.280 9.908 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -7.570 -10.147 9.458 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -6.773 -12.150 9.461 1.00 0.00 O ATOM 0 H GLU A 115 -11.089 -11.679 11.512 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.211 -11.272 13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.630 -9.868 10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.213 -9.645 11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.797 -12.142 11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.175 -12.318 10.799 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.431 -8.892 13.211 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.933 -7.640 13.846 1.00 0.00 C ATOM 1845 C HIS A 116 -13.227 -7.936 14.609 1.00 0.00 C ATOM 1846 O HIS A 116 -14.126 -8.586 14.109 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.193 -6.594 12.761 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.886 -6.207 12.128 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.974 -5.376 12.761 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.322 -6.532 10.919 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.918 -5.230 11.939 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -9.082 -5.914 10.805 1.00 0.00 N ATOM 0 H HIS A 116 -12.025 -9.275 12.475 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.189 -7.257 14.545 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.872 -6.994 12.008 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.676 -5.717 13.192 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.772 -7.169 10.172 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.047 -4.634 12.169 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -8.434 -5.971 10.020 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.319 -7.476 15.828 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.538 -7.741 16.643 1.00 0.00 C ATOM 1863 C GLN A 117 -15.468 -6.524 16.648 1.00 0.00 C ATOM 1864 O GLN A 117 -16.672 -6.657 16.549 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.104 -8.074 18.072 1.00 0.00 C ATOM 1866 CG GLN A 117 -15.265 -7.878 19.048 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.803 -8.233 20.461 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -13.871 -7.641 20.975 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -15.414 -9.182 21.116 1.00 0.00 N ATOM 0 H GLN A 117 -12.599 -6.926 16.296 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.086 -8.578 16.210 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.752 -9.104 18.120 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.268 -7.438 18.361 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -15.612 -6.845 19.015 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -16.107 -8.507 18.760 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -16.195 -9.678 20.686 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -15.111 -9.428 22.058 1.00 0.00 H new ATOM 1878 N ALA A 118 -14.934 -5.340 16.779 1.00 0.00 N ATOM 1879 CA ALA A 118 -15.815 -4.138 16.809 1.00 0.00 C ATOM 1880 C ALA A 118 -15.103 -2.938 16.181 1.00 0.00 C ATOM 1881 O ALA A 118 -13.893 -2.895 16.094 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.177 -3.815 18.259 1.00 0.00 C ATOM 0 H ALA A 118 -13.935 -5.154 16.866 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.719 -4.347 16.238 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.821 -2.936 18.286 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.701 -4.663 18.701 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.267 -3.615 18.825 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.854 -1.966 15.745 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.242 -0.761 15.119 1.00 0.00 C ATOM 1890 C TYR A 119 -15.868 0.500 15.722 1.00 0.00 C ATOM 1891 O TYR A 119 -16.957 0.467 16.259 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.514 -0.786 13.617 1.00 0.00 C ATOM 1893 CG TYR A 119 -16.974 -0.505 13.377 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.903 -1.547 13.460 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.402 0.792 13.073 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.260 -1.296 13.240 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.759 1.047 12.853 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.689 0.001 12.936 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.028 0.253 12.717 1.00 0.00 O ATOM 0 H TYR A 119 -16.873 -1.954 15.796 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.167 -0.759 15.302 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.899 -0.041 13.111 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.245 -1.757 13.202 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.571 -2.548 13.695 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.684 1.596 13.008 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -19.976 -2.102 13.304 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.090 2.048 12.620 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.154 1.205 12.519 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.195 1.613 15.631 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.762 2.870 16.194 1.00 0.00 C ATOM 1911 C ARG A 120 -15.440 4.048 15.274 1.00 0.00 C ATOM 1912 O ARG A 120 -14.418 4.081 14.618 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.153 3.147 17.569 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.622 2.092 18.572 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.058 2.423 19.955 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.378 1.315 20.900 1.00 0.00 N ATOM 1917 CZ ARG A 120 -14.948 1.363 22.131 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -14.228 2.377 22.530 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.236 0.399 22.963 1.00 0.00 N ATOM 0 H ARG A 120 -14.279 1.707 15.192 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.842 2.752 16.282 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.065 3.139 17.502 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.444 4.140 17.911 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.711 2.066 18.607 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.290 1.102 18.258 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.979 2.564 19.895 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.482 3.359 20.318 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.933 0.520 20.584 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -14.003 3.130 21.880 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -13.891 2.416 23.492 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.798 -0.393 22.651 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.899 0.438 23.925 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.294 5.031 15.253 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.034 6.234 14.415 1.00 0.00 C ATOM 1935 C TRP A 121 -15.664 7.381 15.346 1.00 0.00 C ATOM 1936 O TRP A 121 -16.495 7.902 16.063 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.290 6.593 13.622 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.383 5.711 12.422 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.115 4.578 12.340 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.731 5.871 11.132 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.952 4.029 11.081 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.105 4.791 10.299 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.856 6.839 10.610 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.627 4.677 8.993 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.374 6.728 9.298 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.759 5.650 8.492 1.00 0.00 C ATOM 0 H TRP A 121 -17.165 5.054 15.783 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.225 6.040 13.711 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.175 6.472 14.246 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.255 7.639 13.317 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.728 4.168 13.129 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.401 3.168 10.768 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.553 7.674 11.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.926 3.843 8.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.702 7.478 8.907 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.385 5.571 7.482 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.419 7.766 15.363 1.00 0.00 N ATOM 1958 CA LEU A 122 -13.996 8.863 16.275 1.00 0.00 C ATOM 1959 C LEU A 122 -13.216 9.917 15.493 1.00 0.00 C ATOM 1960 O LEU A 122 -12.884 9.733 14.338 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.103 8.297 17.385 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.441 6.822 17.646 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.321 5.932 17.106 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.592 6.593 19.154 1.00 0.00 C ATOM 0 H LEU A 122 -13.678 7.369 14.786 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.883 9.319 16.715 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.055 8.391 17.101 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.239 8.875 18.299 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.375 6.572 17.142 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.565 4.886 17.293 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.213 6.093 16.033 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.385 6.181 17.606 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.832 5.546 19.341 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.658 6.846 19.656 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.393 7.223 19.539 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.921 11.022 16.119 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.163 12.097 15.427 1.00 0.00 C ATOM 1978 C GLY A 123 -10.670 11.790 15.496 1.00 0.00 C ATOM 1979 O GLY A 123 -10.257 10.771 16.013 1.00 0.00 O ATOM 0 H GLY A 123 -13.175 11.226 17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.483 12.171 14.388 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.369 13.060 15.893 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.855 12.661 14.978 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.388 12.420 15.009 1.00 0.00 C ATOM 1985 C LEU A 124 -7.908 12.271 16.453 1.00 0.00 C ATOM 1986 O LEU A 124 -7.054 11.460 16.750 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.675 13.604 14.354 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.159 13.421 14.458 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.767 12.035 13.949 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.468 14.478 13.598 1.00 0.00 C ATOM 0 H LEU A 124 -10.142 13.533 14.533 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.162 11.502 14.467 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.970 13.684 13.308 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.972 14.533 14.840 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.855 13.525 15.500 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.687 11.911 14.026 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.263 11.273 14.550 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.071 11.930 12.907 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.387 14.354 13.667 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.781 14.364 12.560 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.742 15.472 13.952 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.443 13.049 17.350 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.009 12.963 18.778 1.00 0.00 C ATOM 2004 C GLU A 125 -8.236 11.548 19.315 1.00 0.00 C ATOM 2005 O GLU A 125 -7.329 10.912 19.810 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.823 13.957 19.610 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.283 13.502 19.672 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.134 14.607 20.298 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -11.937 15.184 19.584 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -10.969 14.855 21.480 1.00 0.00 O ATOM 0 H GLU A 125 -9.165 13.744 17.159 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.947 13.201 18.844 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.411 14.027 20.617 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.760 14.952 19.170 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.646 13.272 18.670 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.366 12.588 20.259 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.435 11.053 19.223 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.708 9.682 19.732 1.00 0.00 C ATOM 2020 C GLU A 126 -9.032 8.670 18.816 1.00 0.00 C ATOM 2021 O GLU A 126 -8.336 7.782 19.262 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.212 9.440 19.735 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.766 9.563 21.158 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.173 10.789 21.857 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.771 11.846 21.755 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.139 10.648 22.490 1.00 0.00 O ATOM 0 H GLU A 126 -10.237 11.536 18.819 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.321 9.576 20.745 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.705 10.160 19.082 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.429 8.449 19.337 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.852 9.645 21.126 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.530 8.663 21.726 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.202 8.803 17.537 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.536 7.848 16.624 1.00 0.00 C ATOM 2036 C ALA A 127 -7.062 7.808 17.017 1.00 0.00 C ATOM 2037 O ALA A 127 -6.412 6.787 16.948 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.696 8.326 15.184 1.00 0.00 C ATOM 0 H ALA A 127 -9.767 9.524 17.088 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.975 6.853 16.698 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.206 7.623 14.511 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.756 8.387 14.936 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.241 9.310 15.075 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.549 8.918 17.466 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.131 8.964 17.910 1.00 0.00 C ATOM 2046 C CYS A 128 -5.024 8.316 19.293 1.00 0.00 C ATOM 2047 O CYS A 128 -4.062 7.642 19.602 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.676 10.422 17.984 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.971 10.916 16.392 1.00 0.00 S ATOM 0 H CYS A 128 -7.055 9.800 17.545 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.498 8.425 17.205 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.520 11.065 18.235 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.936 10.543 18.775 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.586 12.156 16.454 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.011 8.516 20.130 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.962 7.911 21.492 1.00 0.00 C ATOM 2057 C GLN A 129 -6.060 6.389 21.386 1.00 0.00 C ATOM 2058 O GLN A 129 -5.294 5.665 21.990 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.111 8.476 22.346 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.355 7.587 22.258 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.191 6.373 23.176 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.111 6.104 23.665 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.229 5.626 23.441 1.00 0.00 N ATOM 0 H GLN A 129 -6.844 9.069 19.929 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.016 8.161 21.972 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.790 8.556 23.385 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.356 9.483 22.010 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.240 8.155 22.545 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.507 7.259 21.230 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.136 5.850 23.032 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.133 4.819 24.057 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.984 5.893 20.616 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.107 4.416 20.465 1.00 0.00 C ATOM 2074 C LEU A 130 -5.884 3.900 19.719 1.00 0.00 C ATOM 2075 O LEU A 130 -5.282 2.910 20.086 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.357 4.086 19.656 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.604 4.483 20.446 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.650 5.047 19.489 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.181 3.251 21.139 1.00 0.00 C ATOM 0 H LEU A 130 -7.659 6.443 20.085 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.178 3.950 21.448 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.335 4.615 18.703 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.383 3.020 19.428 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.337 5.234 21.190 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.541 5.331 20.050 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.245 5.923 18.983 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.913 4.290 18.750 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.070 3.534 21.703 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.447 2.504 20.391 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.438 2.834 21.819 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.500 4.583 18.677 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.304 4.156 17.912 1.00 0.00 C ATOM 2093 C ALA A 131 -3.077 4.617 18.687 1.00 0.00 C ATOM 2094 O ALA A 131 -2.195 5.266 18.165 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.325 4.792 16.522 1.00 0.00 C ATOM 0 H ALA A 131 -5.966 5.419 18.324 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.288 3.073 17.788 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.444 4.475 15.964 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.224 4.477 15.991 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.322 5.878 16.619 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.035 4.281 19.945 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.895 4.687 20.808 1.00 0.00 C ATOM 2103 C GLN A 132 -0.596 4.620 20.013 1.00 0.00 C ATOM 2104 O GLN A 132 0.294 5.427 20.191 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.806 3.725 21.985 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.077 2.302 21.492 1.00 0.00 C ATOM 2107 CD GLN A 132 -1.084 1.341 22.144 1.00 0.00 C ATOM 2108 OE1 GLN A 132 0.192 1.604 22.081 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -1.472 0.343 22.715 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.754 3.734 20.418 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.049 5.706 21.162 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.819 3.782 22.443 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.530 4.001 22.752 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.098 2.009 21.737 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -1.984 2.257 20.407 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.470 0.139 22.763 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -0.800 -0.291 23.147 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.475 3.664 19.138 1.00 0.00 N ATOM 2119 CA PHE A 133 0.775 3.557 18.345 1.00 0.00 C ATOM 2120 C PHE A 133 1.032 4.897 17.652 1.00 0.00 C ATOM 2121 O PHE A 133 0.208 5.399 16.912 1.00 0.00 O ATOM 2122 CB PHE A 133 0.622 2.448 17.298 1.00 0.00 C ATOM 2123 CG PHE A 133 0.045 1.204 17.944 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.382 0.870 19.264 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -0.831 0.387 17.219 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.158 -0.278 19.854 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.371 -0.761 17.813 1.00 0.00 C ATOM 2128 CZ PHE A 133 -1.034 -1.093 19.129 1.00 0.00 C ATOM 0 H PHE A 133 -1.183 2.957 18.939 1.00 0.00 H new ATOM 0 HA PHE A 133 1.614 3.314 18.997 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.029 2.785 16.491 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.590 2.221 16.852 1.00 0.00 H new ATOM 0 HD1 PHE A 133 1.058 1.499 19.825 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.090 0.642 16.202 1.00 0.00 H new ATOM 0 HE1 PHE A 133 0.102 -0.535 20.870 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.048 -1.390 17.254 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.450 -1.979 19.586 1.00 0.00 H new ATOM 2138 N LYS A 134 2.171 5.484 17.900 1.00 0.00 N ATOM 2139 CA LYS A 134 2.494 6.801 17.276 1.00 0.00 C ATOM 2140 C LYS A 134 2.403 6.703 15.755 1.00 0.00 C ATOM 2141 O LYS A 134 1.986 7.628 15.088 1.00 0.00 O ATOM 2142 CB LYS A 134 3.917 7.204 17.665 1.00 0.00 C ATOM 2143 CG LYS A 134 4.252 8.565 17.053 1.00 0.00 C ATOM 2144 CD LYS A 134 5.703 8.928 17.376 1.00 0.00 C ATOM 2145 CE LYS A 134 6.004 10.334 16.861 1.00 0.00 C ATOM 2146 NZ LYS A 134 7.197 10.876 17.571 1.00 0.00 N ATOM 0 H LYS A 134 2.896 5.107 18.511 1.00 0.00 H new ATOM 0 HA LYS A 134 1.780 7.546 17.629 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.009 7.250 18.750 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.626 6.453 17.317 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.105 8.536 15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.579 9.327 17.446 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.870 8.880 18.452 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.380 8.208 16.916 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.187 10.308 15.787 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.144 10.984 17.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.404 11.834 17.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.005 10.914 18.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 8.016 10.259 17.395 1.00 0.00 H new ATOM 2160 N GLU A 135 2.805 5.599 15.197 1.00 0.00 N ATOM 2161 CA GLU A 135 2.761 5.455 13.716 1.00 0.00 C ATOM 2162 C GLU A 135 1.348 5.737 13.220 1.00 0.00 C ATOM 2163 O GLU A 135 1.141 6.434 12.244 1.00 0.00 O ATOM 2164 CB GLU A 135 3.113 4.018 13.348 1.00 0.00 C ATOM 2165 CG GLU A 135 4.297 3.556 14.194 1.00 0.00 C ATOM 2166 CD GLU A 135 4.644 2.112 13.834 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.680 1.644 14.277 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.865 1.498 13.124 1.00 0.00 O ATOM 0 H GLU A 135 3.163 4.788 15.702 1.00 0.00 H new ATOM 0 HA GLU A 135 3.465 6.153 13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.255 3.367 13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.361 3.952 12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.157 4.203 14.020 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.052 3.630 15.254 1.00 0.00 H new ATOM 2176 N MET A 136 0.374 5.184 13.878 1.00 0.00 N ATOM 2177 CA MET A 136 -1.025 5.395 13.443 1.00 0.00 C ATOM 2178 C MET A 136 -1.485 6.792 13.846 1.00 0.00 C ATOM 2179 O MET A 136 -2.061 7.511 13.056 1.00 0.00 O ATOM 2180 CB MET A 136 -1.901 4.336 14.098 1.00 0.00 C ATOM 2181 CG MET A 136 -1.328 2.954 13.776 1.00 0.00 C ATOM 2182 SD MET A 136 -1.018 2.820 11.996 1.00 0.00 S ATOM 2183 CE MET A 136 -2.667 3.301 11.424 1.00 0.00 C ATOM 0 H MET A 136 0.489 4.593 14.701 1.00 0.00 H new ATOM 0 HA MET A 136 -1.100 5.310 12.359 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.935 4.489 15.177 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.925 4.414 13.733 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.402 2.796 14.329 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.025 2.178 14.093 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.840 2.893 10.428 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.418 2.912 12.111 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.737 4.388 11.388 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.212 7.202 15.052 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.623 8.570 15.444 1.00 0.00 C ATOM 2195 C LYS A 137 -1.017 9.518 14.423 1.00 0.00 C ATOM 2196 O LYS A 137 -1.622 10.490 14.025 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.095 8.896 16.840 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.963 8.191 17.884 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.081 7.519 18.937 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.398 8.565 19.821 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.068 9.776 19.019 1.00 0.00 N ATOM 0 H LYS A 137 -0.731 6.659 15.769 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.709 8.662 15.468 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.058 8.573 16.934 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.110 9.973 17.005 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.627 8.911 18.361 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.595 7.447 17.400 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.686 6.854 19.554 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.328 6.902 18.447 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.052 8.835 20.650 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.511 8.148 20.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.470 10.445 19.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.503 9.501 18.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -0.947 10.228 18.696 1.00 0.00 H new ATOM 2215 N ALA A 138 0.171 9.205 13.974 1.00 0.00 N ATOM 2216 CA ALA A 138 0.836 10.045 12.945 1.00 0.00 C ATOM 2217 C ALA A 138 0.142 9.816 11.600 1.00 0.00 C ATOM 2218 O ALA A 138 -0.201 10.747 10.899 1.00 0.00 O ATOM 2219 CB ALA A 138 2.300 9.640 12.833 1.00 0.00 C ATOM 0 H ALA A 138 0.710 8.395 14.282 1.00 0.00 H new ATOM 0 HA ALA A 138 0.772 11.097 13.223 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.791 10.255 12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.792 9.784 13.795 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.366 8.591 12.545 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.083 8.577 11.244 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.771 8.288 9.956 1.00 0.00 C ATOM 2227 C ALA A 139 -2.127 8.979 9.982 1.00 0.00 C ATOM 2228 O ALA A 139 -2.511 9.673 9.061 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.976 6.778 9.811 1.00 0.00 C ATOM 0 H ALA A 139 0.180 7.757 11.790 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.173 8.648 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.480 6.568 8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.008 6.276 9.825 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.586 6.413 10.637 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.842 8.810 11.055 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.164 9.467 11.185 1.00 0.00 C ATOM 2237 C LEU A 140 -3.934 10.980 11.268 1.00 0.00 C ATOM 2238 O LEU A 140 -4.769 11.774 10.882 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.843 8.983 12.471 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.940 7.454 12.458 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.922 6.932 13.895 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.246 7.017 11.790 1.00 0.00 C ATOM 0 H LEU A 140 -2.563 8.240 11.853 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.798 9.226 10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.275 9.314 13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.838 9.420 12.555 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.094 7.051 11.901 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.991 5.844 13.888 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.994 7.234 14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.769 7.346 14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.306 5.929 11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.092 7.425 12.343 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.271 7.386 10.765 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.801 11.369 11.792 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.480 12.819 11.943 1.00 0.00 C ATOM 2256 C GLN A 141 -2.128 13.456 10.596 1.00 0.00 C ATOM 2257 O GLN A 141 -2.671 14.477 10.224 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.268 12.950 12.864 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.704 13.497 14.221 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.954 15.001 14.100 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -1.917 15.558 12.920 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -2.186 15.672 15.085 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.075 10.735 12.126 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.354 13.327 12.352 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.789 11.979 12.990 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.529 13.614 12.415 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.610 12.992 14.556 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.935 13.303 14.969 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.214 15.234 16.006 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.353 16.674 14.992 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.206 12.881 9.874 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.810 13.484 8.570 1.00 0.00 C ATOM 2273 C GLU A 142 -1.984 13.436 7.591 1.00 0.00 C ATOM 2274 O GLU A 142 -2.186 14.344 6.811 1.00 0.00 O ATOM 2275 CB GLU A 142 0.384 12.718 7.991 1.00 0.00 C ATOM 2276 CG GLU A 142 1.579 12.833 8.943 1.00 0.00 C ATOM 2277 CD GLU A 142 1.981 14.303 9.085 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.663 14.620 10.044 1.00 0.00 O ATOM 2279 OE2 GLU A 142 1.602 15.085 8.228 1.00 0.00 O ATOM 0 H GLU A 142 -0.712 12.025 10.128 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.527 14.525 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.121 11.670 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.646 13.119 7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.321 12.420 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 142 2.418 12.251 8.562 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.769 12.390 7.622 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.925 12.316 6.685 1.00 0.00 C ATOM 2289 C GLY A 143 -4.822 13.534 6.908 1.00 0.00 C ATOM 2290 O GLY A 143 -5.206 14.216 5.979 1.00 0.00 O ATOM 0 H GLY A 143 -2.660 11.593 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.573 12.291 5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.488 11.398 6.852 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.143 13.822 8.138 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.998 15.006 8.428 1.00 0.00 C ATOM 2296 C HIS A 144 -5.266 16.266 7.970 1.00 0.00 C ATOM 2297 O HIS A 144 -5.852 17.178 7.417 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.257 15.084 9.935 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.241 16.185 10.225 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -6.920 17.528 10.070 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.541 16.160 10.669 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -8.005 18.247 10.415 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -9.018 17.460 10.787 1.00 0.00 N ATOM 0 H HIS A 144 -4.850 13.288 8.956 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.949 14.919 7.902 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.645 14.132 10.297 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.323 15.269 10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -9.106 15.267 10.892 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -8.050 19.326 10.394 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -9.946 17.752 11.093 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.984 16.323 8.206 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.195 17.519 7.801 1.00 0.00 C ATOM 2314 C GLN A 145 -3.234 17.693 6.278 1.00 0.00 C ATOM 2315 O GLN A 145 -3.443 18.778 5.774 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.742 17.326 8.242 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.960 18.621 8.017 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.386 19.664 9.054 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.458 19.376 10.231 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.670 20.875 8.660 1.00 0.00 N ATOM 0 H GLN A 145 -3.447 15.587 8.665 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.623 18.405 8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.705 17.046 9.295 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.286 16.512 7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.110 18.430 8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -1.143 18.998 7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.609 21.117 7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.953 21.580 9.341 1.00 0.00 H new ATOM 2329 N PHE A 146 -3.017 16.637 5.541 1.00 0.00 N ATOM 2330 CA PHE A 146 -3.021 16.746 4.051 1.00 0.00 C ATOM 2331 C PHE A 146 -4.437 17.009 3.526 1.00 0.00 C ATOM 2332 O PHE A 146 -4.653 17.897 2.724 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.498 15.445 3.443 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.505 15.563 1.939 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.702 15.402 1.237 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.317 15.832 1.247 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.719 15.508 -0.155 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.332 15.939 -0.150 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.534 15.778 -0.852 1.00 0.00 C ATOM 0 H PHE A 146 -2.837 15.702 5.906 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.380 17.580 3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.488 15.243 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.120 14.607 3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.617 15.195 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.391 15.957 1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.646 15.382 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.417 16.146 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.547 15.862 -1.929 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.397 16.238 3.950 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.784 16.446 3.449 1.00 0.00 C ATOM 2351 C LEU A 147 -7.220 17.886 3.707 1.00 0.00 C ATOM 2352 O LEU A 147 -7.966 18.463 2.943 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.739 15.475 4.148 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.354 14.039 3.780 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.309 13.058 4.452 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.445 13.860 2.263 1.00 0.00 C ATOM 0 H LEU A 147 -5.283 15.476 4.619 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.808 16.257 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.690 15.612 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.767 15.677 3.847 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.336 13.846 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.030 12.038 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.253 13.179 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.327 13.254 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.171 12.838 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.465 14.058 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.764 14.556 1.773 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.752 18.477 4.768 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.134 19.885 5.053 1.00 0.00 C ATOM 2370 C CYS A 148 -6.378 20.802 4.090 1.00 0.00 C ATOM 2371 O CYS A 148 -6.713 21.957 3.921 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.769 20.233 6.499 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.844 19.309 7.624 1.00 0.00 S ATOM 0 H CYS A 148 -6.124 18.048 5.448 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.208 20.016 4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.725 19.988 6.692 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.882 21.304 6.667 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.157 18.373 8.209 1.00 0.00 H new ATOM 2379 N SER A 149 -5.353 20.289 3.462 1.00 0.00 N ATOM 2380 CA SER A 149 -4.560 21.118 2.512 1.00 0.00 C ATOM 2381 C SER A 149 -5.200 21.088 1.121 1.00 0.00 C ATOM 2382 O SER A 149 -4.756 21.769 0.217 1.00 0.00 O ATOM 2383 CB SER A 149 -3.146 20.550 2.417 1.00 0.00 C ATOM 2384 OG SER A 149 -2.481 20.728 3.662 1.00 0.00 O ATOM 0 H SER A 149 -5.031 19.327 3.568 1.00 0.00 H new ATOM 0 HA SER A 149 -4.534 22.146 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 149 -3.184 19.491 2.160 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.594 21.051 1.622 1.00 0.00 H new ATOM 0 HG SER A 149 -2.813 20.069 4.307 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.220 20.296 0.928 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.851 20.225 -0.420 1.00 0.00 C ATOM 2392 C ILE A 150 -7.900 21.324 -0.580 1.00 0.00 C ATOM 2393 O ILE A 150 -7.629 22.497 -0.408 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.535 18.870 -0.614 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.752 17.770 0.101 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.590 18.550 -2.104 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.554 16.469 0.043 1.00 0.00 C ATOM 0 H ILE A 150 -6.641 19.699 1.640 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.066 20.356 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.541 18.918 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.779 17.634 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.567 18.052 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.076 17.586 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.156 19.324 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.577 18.511 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.002 15.678 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.517 16.613 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.716 16.187 -0.997 1.00 0.00 H new